4-[2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-[2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-3426 |
| Compound Name: | 4-[2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 552.69 |
| Molecular Formula: | C29 H36 N4 O5 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC(NC2CCCC2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7873 |
| logD: | 1.7873 |
| logSw: | -2.7301 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.886 |
| InChI Key: | DHSXSXSQVZJFDL-UHFFFAOYSA-N |