2-[(cyanomethyl)sulfanyl]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016056 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc2C(N(C3CCCCC3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6689 |
| logD: | 4.6689 |
| logSw: | -4.4112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.847 |
| InChI Key: | LHDSCSKCFULWAZ-UHFFFAOYSA-N |