2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | G858-0163 |
Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
Molecular Weight: | 420.53 |
Molecular Formula: | C23 H24 N4 O2 S |
Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cc(C)cc(C)c1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6013 |
logD: | 3.6002 |
logSw: | -3.8891 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.608 |
InChI Key: | QTJMKXAFEIOJQS-UHFFFAOYSA-N |