N-benzyl-4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4705 |
| Compound Name: | N-benzyl-4-{[2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 546.73 |
| Molecular Formula: | C31 H38 N4 O3 S |
| Smiles: | C1CCC(CC1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8166 |
| logD: | 4.8166 |
| logSw: | -4.7516 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.573 |
| InChI Key: | MNGWKTKJTKXVGZ-UHFFFAOYSA-N |