4-({3-cyclopentyl-N-[(4-fluorophenyl)methyl]propanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({3-cyclopentyl-N-[(4-fluorophenyl)methyl]propanamido}methyl)phenyl ethanesulfonate
4-({3-cyclopentyl-N-[(4-fluorophenyl)methyl]propanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-8781 |
| Compound Name: | 4-({3-cyclopentyl-N-[(4-fluorophenyl)methyl]propanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C24 H30 F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(CCC2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2955 |
| logD: | 4.2955 |
| logSw: | -4.1896 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.317 |
| InChI Key: | BCGCRZHJEIZOLQ-UHFFFAOYSA-N |