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82450-40-6 | 4(3H)-Quinazolinone, 3-(2-benzothiazolyl)-2-phenyl-
CAS No: 82450-40-6 Catalog No: AG0050Q1 MDL No:
Product Description
Catalog Number:
AG0050Q1
Chemical Name:
4(3H)-Quinazolinone, 3-(2-benzothiazolyl)-2-phenyl-
CAS Number:
82450-40-6
Molecular Formula:
C21H13N3OS
Molecular Weight:
355.4124
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-2-phenylquinazolin-4-one
InChI:
InChI=1S/C21H13N3OS/c25-20-15-10-4-5-11-16(15)22-19(14-8-2-1-3-9-14)24(20)21-23-17-12-6-7-13-18(17)26-21/h1-13H
InChI Key:
FLEZDNHKQDLBGN-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2nc(n1c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.078g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.415g/mol
Monoisotopic Mass:
355.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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