4-[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-3418 |
| Compound Name: | 4-[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 566.72 |
| Molecular Formula: | C30 H38 N4 O5 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC(NC2CCCCC2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2427 |
| logD: | 2.2427 |
| logSw: | -2.9293 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.52 |
| InChI Key: | UXFIEAYZNCCVOO-UHFFFAOYSA-N |