4-{[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
4-{[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4671 |
| Compound Name: | 4-{[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 564.12 |
| Molecular Formula: | C31 H31 Cl F N3 O2 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1ccc(cc1[Cl])F)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5959 |
| logD: | 6.5959 |
| logSw: | -6.2978 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.218 |
| InChI Key: | HHNAIEVUIPSOAW-UHFFFAOYSA-N |