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82450-41-7 | 4(3H)-Quinazolinone, 3-(5-methyl-2-benzothiazolyl)-2-phenyl-
CAS No: 82450-41-7 Catalog No: AG008JKZ MDL No:
Product Description
Catalog Number:
AG008JKZ
Chemical Name:
4(3H)-Quinazolinone, 3-(5-methyl-2-benzothiazolyl)-2-phenyl-
CAS Number:
82450-41-7
Molecular Formula:
C22H15N3OS
Molecular Weight:
369.4390
IUPAC Name:
3-(5-methyl-1,3-benzothiazol-2-yl)-2-phenylquinazolin-4-one
InChI:
InChI=1S/C22H15N3OS/c1-14-11-12-19-18(13-14)24-22(27-19)25-20(15-7-3-2-4-8-15)23-17-10-6-5-9-16(17)21(25)26/h2-13H,1H3
InChI Key:
RXMKKAQWFNJEGG-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(s2)n1c(nc2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.094g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.442g/mol
Monoisotopic Mass:
369.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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