4-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-6029 |
| Compound Name: | 4-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C26 H27 Cl N2 O5 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6008 |
| logD: | 4.6007 |
| logSw: | -4.6615 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.801 |
| InChI Key: | KWBLJYFCWGHYNZ-SFHVURJKSA-N |