3-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
3-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-5543 |
| Compound Name: | 3-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 498.57 |
| Molecular Formula: | C26 H27 F N2 O5 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3539 |
| logD: | 4.3538 |
| logSw: | -4.2995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.801 |
| InChI Key: | MKPSXMUBPNWIQX-SFHVURJKSA-N |