2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0127 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.17 |
| logD: | 3.1689 |
| logSw: | -3.5843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.582 |
| InChI Key: | DEDPBEXNUHSCAN-UHFFFAOYSA-N |