3-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
3-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | K284-4180 |
| Compound Name: | 3-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 566.08 |
| Molecular Formula: | C29 H28 Cl N3 O5 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCC(c2ccc(cc2)[Cl])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3219 |
| logD: | 3.3219 |
| logSw: | -4.0023 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.57 |
| InChI Key: | XWECHPYQKXJFMO-UHFFFAOYSA-N |