4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-pentylbenzamide
Chemical Structure Depiction of
4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-pentylbenzamide
4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-pentylbenzamide
Compound characteristics
| Compound ID: | K284-4540 |
| Compound Name: | 4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-pentylbenzamide |
| Molecular Weight: | 520.69 |
| Molecular Formula: | C29 H36 N4 O3 S |
| Smiles: | CCCCCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(NC2CCCCC2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7999 |
| logD: | 4.7999 |
| logSw: | -4.5414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.494 |
| InChI Key: | QBHLVWPTEVZXEF-UHFFFAOYSA-N |