N-[(2-chlorophenyl)methyl]-4-{[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-{[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4607 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 557.11 |
| Molecular Formula: | C31 H29 Cl N4 O2 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1ccccc1C#N)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1072 |
| logD: | 6.1071 |
| logSw: | -6.0503 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.433 |
| InChI Key: | PDAOXPFGNVNBEK-UHFFFAOYSA-N |