AG0076B7

186046-78-6 | 2-(4-(((Benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid

AG0076B7

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CAS Number	186046-78-6
Catalog Number	AG0076B7(AGN-PC-0QF15V)
Chemical Name	2-(4-(((Benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid
IUPAC Name	2-[4-(benzhydryloxycarbonylamino)-2-oxopyrimidin-1-yl]acetic acid
InChI	InChI=1S/C20H17N3O5/c24-17(25)13-23-12-11-16(21-19(23)26)22-20(27)28-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,24,25)(H,21,22,26,27)
InChI Key	VPWKJWIKZUONJA-UHFFFAOYSA-N
MDL Number	MFCD09261301
Molecular Formula	C20H17N3O5
Molecular Weight	379.3661
SMILES	O=C(O)CN1C=CC(NC(OC(C2=CC=CC=C2)C3=CC=CC=C3)=O)=NC1=O
Synonyms	186046-78-6, (4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid, 2-(4-(((Benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid, (4-benzhydryloxycarbonylamino-2-oxo-2h-pyrimidin-1-yl)-acetic acid, AK-33847, [4-N-(benzhydryloxycarbonyl)-cytosin-1-yl]-acetic acid, 2-(4-(BENZHYDRYLOXYCARBONYLAMINO)-2-OXOPYRIMIDIN-1(2H)-YL)ACETIC ACID, VPWKJWIKZUONJA-UHFFFAOYSA-N, PubChem23370, SCHEMBL3141377, CTK0H1312, KS-00000LIM, DTXSID80573525, ACT04906, MFCD09261301, ZINC16696939, AKOS015909342, AS06603, CS-W006823, ACM186046786, AJ-69199, AN-30349, BR-33847, DS-12562, AB0005551, AX8045887, RT-005540, ST2416086, FT-0630214, W4020, S-5836, (4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic, 046N786, (4-N-(Benzhydryloxycarbonyl)cytosine)-1-aceticacid, Nb-N-(benzhydryloxycarbonyl)cytosine)-1-acetic acid, [4-N-(benzhydryloxycarbonyl)-cytosin-1-yl]acetic acid, [4-N-(benzhydryloxycarbonyl)cytosin-1-yl]acetic acid, I14-33336, 2-[4-N-(benzhydryloxycarbonyl)-cytosin-1-yl]-acetic acid, 2-[4-(benzhydryloxycarbonylamino)-2-oxo-pyrimidin-1-yl]acetic acid, [4-{[(Diphenylmethoxy)carbonyl]amino}-2-oxopyrimidin-1(2H)-yl]acetic acid, 1(2H)-Pyrimidineaceticacid, 4-[[(diphenylmethoxy)carbonyl]amino]-2-oxo-, 2-Oxo-4-(benzhydryloxycarbonylamino)-1,2-dihydropyrimidine-1-acetic acid, 2-(4-{[(diphenylmethoxy)carbonyl]amino}-2-oxo-1,2-dihydropyrimidin-1-yl)acetic acid, (4-Benzhydryloxycarbonylamino-2-oxo-2H-pyrimidin-1-yl)-acetic acid;(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic, C20H17N3O5,

Complexity	630
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	379.117g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	379.372g/mol
Monoisotopic Mass	379.117g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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