3-{[N-(butan-2-yl)-4-pentylbenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-4-pentylbenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(butan-2-yl)-4-pentylbenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-4037 |
| Compound Name: | 3-{[N-(butan-2-yl)-4-pentylbenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 511.66 |
| Molecular Formula: | C29 H34 F N O4 S |
| Smiles: | CCCCCc1ccc(cc1)C(N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6668 |
| logD: | 7.6668 |
| logSw: | -5.58 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.539 |
| InChI Key: | RFNASMYEQRHPSZ-QFIPXVFZSA-N |