2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015857 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | C1CCC(CC1)NC(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0037 |
| logD: | 4.0037 |
| logSw: | -4.2499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.651 |
| InChI Key: | CZLIEBHVZOQNLQ-UHFFFAOYSA-N |