N-[(2-chlorophenyl)methyl]-4-{[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-{[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4510 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 594.56 |
| Molecular Formula: | C31 H29 Cl2 N3 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(c1ccc(cc1)[Cl])=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4246 |
| logD: | 6.4246 |
| logSw: | -6.0735 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.623 |
| InChI Key: | IQRSNQBTXKANMC-UHFFFAOYSA-N |