4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
Chemical Structure Depiction of
4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
Compound characteristics
| Compound ID: | G629-0009 |
| Compound Name: | 4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | CCCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(NC2CCCCC2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7842 |
| logD: | 3.7842 |
| logSw: | -3.8627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.494 |
| InChI Key: | NPUURFDTJMYNIU-UHFFFAOYSA-N |