2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0409 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 542.03 |
| Molecular Formula: | C27 H25 Cl F N3 O4 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1[Cl])F)c1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4472 |
| logD: | 5.4472 |
| logSw: | -5.9018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.906 |
| InChI Key: | HFGFXUGQKVJXDL-UHFFFAOYSA-N |