4-{[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
4-{[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4602 |
| Compound Name: | 4-{[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 609.57 |
| Molecular Formula: | C31 H30 Cl2 N4 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(Nc1ccccc1[Cl])=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7534 |
| logD: | 5.7533 |
| logSw: | -5.8549 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.828 |
| InChI Key: | XTLQCAUEVXAQCJ-UHFFFAOYSA-N |