2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-1411 |
| Compound Name: | 2-{[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(Cc1ccccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.887 |
| logD: | 4.8869 |
| logSw: | -4.8418 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.888 |
| InChI Key: | FIUQWYGFAQTSJO-SFHVURJKSA-N |