4-({(cyclohexanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({(cyclohexanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate
4-({(cyclohexanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-5162 |
| Compound Name: | 4-({(cyclohexanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 433.54 |
| Molecular Formula: | C23 H28 F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(C2CCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2913 |
| logD: | 4.2913 |
| logSw: | -4.1459 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.479 |
| InChI Key: | MVBPSROGCLLOEB-UHFFFAOYSA-N |