4-{[acetyl(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[acetyl(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-{[acetyl(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-8692 |
| Compound Name: | 4-{[acetyl(propan-2-yl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 395.9 |
| Molecular Formula: | C19 H22 Cl N O4 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.576 |
| logD: | 3.576 |
| logSw: | -3.6439 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.694 |
| InChI Key: | UMWSQDDSYUBFQR-UHFFFAOYSA-N |