{[3-(3,5-dimethylphenyl)-4-oxo-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[3-(3,5-dimethylphenyl)-4-oxo-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
{[3-(3,5-dimethylphenyl)-4-oxo-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | G859-0098 |
| Compound Name: | {[3-(3,5-dimethylphenyl)-4-oxo-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCCC1)=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 3.0598 |
| logD: | 3.0549 |
| logSw: | -3.3956 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.937 |
| InChI Key: | GOZXEXFCOSIQLO-UHFFFAOYSA-N |