4-{[4-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[4-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl methanesulfonate
4-{[4-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V011-4849 |
| Compound Name: | 4-{[4-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 395.9 |
| Molecular Formula: | C19 H22 Cl N O4 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(C)(=O)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8174 |
| logD: | 3.8174 |
| logSw: | -4.3995 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.598 |
| InChI Key: | LRDBSJYEPAMTDN-UHFFFAOYSA-N |