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81762-52-9 | 3-(1,3-BENZOTHIAZOL-2-YL)-2-METHYL-4(3H)-QUINAZOLINONE
CAS No: 81762-52-9 Catalog No: AG008LIV MDL No:
Product Description
Catalog Number:
AG008LIV
Chemical Name:
3-(1,3-BENZOTHIAZOL-2-YL)-2-METHYL-4(3H)-QUINAZOLINONE
CAS Number:
81762-52-9
Molecular Formula:
C16H11N3OS
Molecular Weight:
293.3430
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-2-methylquinazolin-4-one
InChI:
InChI=1S/C16H11N3OS/c1-10-17-12-7-3-2-6-11(12)15(20)19(10)16-18-13-8-4-5-9-14(13)21-16/h2-9H,1H3
InChI Key:
AHWGBQAWNSSZLP-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(=O)n1c1nc2c(s1)cccc2
NSC Number:
374209
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.344g/mol
Monoisotopic Mass:
293.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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