4-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-3265 |
| Compound Name: | 4-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 580.1 |
| Molecular Formula: | C30 H30 Cl N3 O5 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC(c2ccc(cc2)[Cl])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0687 |
| logD: | 3.0687 |
| logSw: | -3.7884 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.57 |
| InChI Key: | NPADXZUDKKXJII-UHFFFAOYSA-N |