3-{[acetyl(2-methylpropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[acetyl(2-methylpropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[acetyl(2-methylpropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1065 |
| Compound Name: | 3-{[acetyl(2-methylpropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 409.93 |
| Molecular Formula: | C20 H24 Cl N O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1914 |
| logD: | 4.1914 |
| logSw: | -4.3798 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.95 |
| InChI Key: | HZSLCZNPMMVWOW-UHFFFAOYSA-N |