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117106-06-6 | 4(1H)-Quinazolinone, 2,3-dihydro-5-methyl-3-phenyl-2-thioxo-
CAS No: 117106-06-6 Catalog No: AG000DQT MDL No:MFCD08689695
Product Description
Catalog Number:
AG000DQT
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-5-methyl-3-phenyl-2-thioxo-
CAS Number:
117106-06-6
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
MDL Number:
MFCD08689695
IUPAC Name:
5-methyl-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C15H12N2OS/c1-10-6-5-9-12-13(10)14(18)17(15(19)16-12)11-7-3-2-4-8-11/h2-9H,1H3,(H,16,19)
InChI Key:
IFCHTXWAPAEDEC-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2cccc(c2c(=O)n1c1ccccc1)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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