AG00G3SM

839713-36-9 | 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

AG00G3SM

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CAS Number	839713-36-9
Catalog Number	AG00G3SM(AGN-PC-0UQ153)
Chemical Name	1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
IUPAC Name	1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
InChI	InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)
InChI Key	COSPVUFTLGQDQL-UHFFFAOYSA-N
MDL Number	MFCD16619341
Molecular Formula	C18H15BrF2N4O2
Molecular Weight	437.2381
SMILES	O=C(NC1=CC=C(F)C=C1F)NC2=CC=C(OC)C(C3=C(Br)C=NN3C)=C2
UNII	4ZA73QEW2P
Synonyms	nelotanserin, NELOTANSERIN, 839713-36-9, UNII-4ZA73QEW2P, 4ZA73QEW2P, 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea, APD125, CHEMBL598172, APD-125, 1-[3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL]-3-(2,4-DIFLUOROPHENYL)UREA, 1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea, N-[3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N'-(2,4-difluorophenyl)-Urea, Nelotanserin [USAN:INN], Nelotanserin (USAN/INN), SCHEMBL2345325, APD 125, DTXSID40232868, COSPVUFTLGQDQL-UHFFFAOYSA-N, BCP24992, BDBM50324541, MFCD16619341, ZINC38239930, CS-5984, DB12555, SB19023, 1-[3-(4-bromo-2-methyl-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluorophenyl)urea, AK206123, AN-27211, AS-30117, HY-10559, D09645, 713B369, 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluoro-phenyl)-urea, 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluoro-phenyl)urea, D0GJ7B, CID11683556, Urea, N-[3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N'-(2,4-difluorophenyl)-,

Complexity	518
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	436.035g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	437.245g/mol
Monoisotopic Mass	436.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	68.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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