4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl propane-2-sulfonate
4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-9047 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 421.53 |
| Molecular Formula: | C22 H28 F N O4 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)OS(C(C)C)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1459 |
| logD: | 4.1459 |
| logSw: | -4.077 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | DDWKPEXDWCCRNM-UHFFFAOYSA-N |