4-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl methanesulfonate
4-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V026-9914 |
| Compound Name: | 4-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 395.9 |
| Molecular Formula: | C19 H22 Cl N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(C)(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7619 |
| logD: | 3.7619 |
| logSw: | -4.0835 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.926 |
| InChI Key: | DJEPUPFUEOIKFQ-AWEZNQCLSA-N |