4-{[2-({2-[butyl(methyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-({2-[butyl(methyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
4-{[2-({2-[butyl(methyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4802 |
| Compound Name: | 4-{[2-({2-[butyl(methyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 548.75 |
| Molecular Formula: | C31 H40 N4 O3 S |
| Smiles: | CCCCN(C)C(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5295 |
| logD: | 4.5295 |
| logSw: | -4.2583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.363 |
| InChI Key: | MBYWOEHFZPNNCE-UHFFFAOYSA-N |