4-({N-[(4-fluorophenyl)methyl]pentanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl]pentanamido}methyl)phenyl ethanesulfonate
4-({N-[(4-fluorophenyl)methyl]pentanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-0705 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl]pentanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C21 H26 F N O4 S |
| Smiles: | CCCCC(N(Cc1ccc(cc1)OS(CC)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.731 |
| logD: | 3.731 |
| logSw: | -3.7453 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.031 |
| InChI Key: | UNNCAQAGPOVODF-UHFFFAOYSA-N |