4-({(benzenesulfonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({(benzenesulfonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate
4-({(benzenesulfonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-6178 |
| Compound Name: | 4-({(benzenesulfonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C22 H22 F N O5 S2 |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)S(c2ccccc2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0332 |
| logD: | 4.0332 |
| logSw: | -3.9881 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.451 |
| InChI Key: | ZEUAAAYJXYVOAV-UHFFFAOYSA-N |