4-{[acetyl(cyclopropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[acetyl(cyclopropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-{[acetyl(cyclopropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3935 |
| Compound Name: | 4-{[acetyl(cyclopropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 393.89 |
| Molecular Formula: | C19 H20 Cl N O4 S |
| Smiles: | CC(N(Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4399 |
| logD: | 3.4399 |
| logSw: | -3.5901 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.255 |
| InChI Key: | QWRJFJZZWYOSSS-UHFFFAOYSA-N |