2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0135 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 510.03 |
| Molecular Formula: | C27 H25 Cl F N3 O2 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCc1c(cccc1[Cl])F)c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9326 |
| logD: | 5.9321 |
| logSw: | -5.9525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.819 |
| InChI Key: | VTARXQNITTULFW-UHFFFAOYSA-N |