4-({N-[(4-fluorophenyl)methyl]butanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl]butanamido}methyl)phenyl ethanesulfonate
4-({N-[(4-fluorophenyl)methyl]butanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-0780 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl]butanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H24 F N O4 S |
| Smiles: | CCCC(N(Cc1ccc(cc1)OS(CC)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4294 |
| logD: | 3.4294 |
| logSw: | -3.6212 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.031 |
| InChI Key: | GMTKNZXTTSAFBO-UHFFFAOYSA-N |