AG00G7TJ

Name: 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
Brand: Angene Chemical
SKU: AG00G7TJ

85642-11-1 | 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one

AG00G7TJ

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CAS Number	85642-11-1
Catalog Number	AG00G7TJ(AGN-PC-0V1M03)
Chemical Name	10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
IUPAC Name	5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
InChI	InChI=1S/C22H18N2O2S/c25-22-16(21-23-17-7-1-2-8-18(17)27-21)12-14-11-13-5-3-9-24-10-4-6-15(19(13)24)20(14)26-22/h1-2,7-8,11-12H,3-6,9-10H2
InChI Key	WYZWJLZUSHFFOR-UHFFFAOYSA-N
MDL Number	MFCD04038784
Molecular Formula	C22H18N2O2S
Molecular Weight	374.4555
SMILES	O=C1OC2=C(C=C1C3=NC=4C=CC=CC4S3)C=C5C6=C2CCCN6CCC5
Synonyms	Coumarin 545, 85642-11-1, SCHEMBL12120060, ZINC2525453, MFCD04038784, C-545, 1,2,4,5,3H,6H,10H-Tetrahydro-9-(benzthiazole-2-yl)-[1]benzopyrano(9,9a,1-gh)-quinolizin10-one, 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one, CID5237252, CID 5237252, C2900,

Complexity	652
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	374.109g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	374.458g/mol
Monoisotopic Mass	374.109g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited