5-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1037 |
| Compound Name: | 5-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 531.03 |
| Molecular Formula: | C26 H27 Cl N2 O6 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8339 |
| logD: | 3.8338 |
| logSw: | -4.1803 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.934 |
| InChI Key: | PDAFINAROSBQDK-UHFFFAOYSA-N |