4-({(cyclopentanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({(cyclopentanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate
4-({(cyclopentanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-2362 |
| Compound Name: | 4-({(cyclopentanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 419.51 |
| Molecular Formula: | C22 H26 F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(C2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8902 |
| logD: | 3.8902 |
| logSw: | -3.7971 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.845 |
| InChI Key: | QTJMNYBWXFAKOX-UHFFFAOYSA-N |