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918154-65-1 | 4(3H)-Quinazolinone, 3-(4-methyl-2-benzothiazolyl)-2-phenyl-
CAS No: 918154-65-1 Catalog No: AG006LAP MDL No:
Product Description
Catalog Number:
AG006LAP
Chemical Name:
4(3H)-Quinazolinone, 3-(4-methyl-2-benzothiazolyl)-2-phenyl-
CAS Number:
918154-65-1
Molecular Formula:
C22H15N3OS
Molecular Weight:
369.4390
IUPAC Name:
3-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylquinazolin-4-one
InChI:
InChI=1S/C22H15N3OS/c1-14-8-7-13-18-19(14)24-22(27-18)25-20(15-9-3-2-4-10-15)23-17-12-6-5-11-16(17)21(25)26/h2-13H,1H3
InChI Key:
WSYMJMHNXCUCOR-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1nc(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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