N-[(2-chlorophenyl)methyl]-4-{[2-{[(2-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[2-{[(2-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-{[2-{[(2-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-3393 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[2-{[(2-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 550.09 |
| Molecular Formula: | C30 H29 Cl F N3 O2 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1ccccc1F)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5913 |
| logD: | 6.5913 |
| logSw: | -6.1912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.376 |
| InChI Key: | AUNVHZXIJAVIBJ-UHFFFAOYSA-N |