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918154-70-8 | 4(3H)-Quinazolinone, 3-(4,6-dimethyl-2-benzothiazolyl)-2-phenyl-
CAS No: 918154-70-8 Catalog No: AG0069D8 MDL No:
Product Description
Catalog Number:
AG0069D8
Chemical Name:
4(3H)-Quinazolinone, 3-(4,6-dimethyl-2-benzothiazolyl)-2-phenyl-
CAS Number:
918154-70-8
Molecular Formula:
C23H17N3OS
Molecular Weight:
383.4656
IUPAC Name:
3-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylquinazolin-4-one
InChI:
InChI=1S/C23H17N3OS/c1-14-12-15(2)20-19(13-14)28-23(25-20)26-21(16-8-4-3-5-9-16)24-18-11-7-6-10-17(18)22(26)27/h3-13H,1-2H3
InChI Key:
CFABDIWQPQXMFF-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)sc(n2)n1c(nc2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.109g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.469g/mol
Monoisotopic Mass:
383.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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