4-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl propane-2-sulfonate
4-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-4911 |
| Compound Name: | 4-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C21 H26 F N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2361 |
| logD: | 4.2361 |
| logSw: | -4.2701 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.811 |
| InChI Key: | ZSIDFIDJTKVFQJ-INIZCTEOSA-N |