3-[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
3-[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | K284-4391 |
| Compound Name: | 3-[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 581.09 |
| Molecular Formula: | C29 H29 Cl N4 O5 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCC(Nc2ccccc2[Cl])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6507 |
| logD: | 2.6507 |
| logSw: | -3.5186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.775 |
| InChI Key: | KNBCECFWMFAKMR-UHFFFAOYSA-N |