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21097-36-9 | 4(1H)-Quinazolinone, 2,3-dihydro-1-methyl-3-phenyl-2-thioxo-
CAS No: 21097-36-9 Catalog No: AG002L2Z MDL No:
Product Description
Catalog Number:
AG002L2Z
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-1-methyl-3-phenyl-2-thioxo-
CAS Number:
21097-36-9
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
IUPAC Name:
1-methyl-3-phenyl-2-sulfanylidenequinazolin-4-one
InChI:
InChI=1S/C15H12N2OS/c1-16-13-10-6-5-9-12(13)14(18)17(15(16)19)11-7-3-2-4-8-11/h2-10H,1H3
InChI Key:
ASEKQBPTGBUTTP-UHFFFAOYSA-N
SMILES:
S=c1n(c2ccccc2)c(=O)c2c(n1C)cccc2
NSC Number:
75188
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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