2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015456 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C25 H20 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8862 |
| logD: | 3.8862 |
| logSw: | -4.0159 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.014 |
| InChI Key: | AHUGTZJPWPGHRB-UHFFFAOYSA-N |