3-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
3-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | K284-4198 |
| Compound Name: | 3-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 556.06 |
| Molecular Formula: | C28 H27 Cl F N3 O4 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCc2ccc(cc2[Cl])F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1017 |
| logD: | 4.1017 |
| logSw: | -4.452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.323 |
| InChI Key: | VPEBXJLXUQTTGV-UHFFFAOYSA-N |