3-{[acetyl(butan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[acetyl(butan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[acetyl(butan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2096 |
| Compound Name: | 3-{[acetyl(butan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 409.93 |
| Molecular Formula: | C20 H24 Cl N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0821 |
| logD: | 4.0821 |
| logSw: | -4.2857 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.279 |
| InChI Key: | BERYPFSIOQXVNM-HNNXBMFYSA-N |