2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-5-(diethylamino)phenyl methanesulfonate
Chemical Structure Depiction of
2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-5-(diethylamino)phenyl methanesulfonate
2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-5-(diethylamino)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V025-1055 |
| Compound Name: | 2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}-5-(diethylamino)phenyl methanesulfonate |
| Molecular Weight: | 453 |
| Molecular Formula: | C22 H29 Cl N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C(C)C)C(c2ccccc2[Cl])=O)c(c1)OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3542 |
| logD: | 4.3446 |
| logSw: | -4.5214 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.165 |
| InChI Key: | VSVFLSHBJYLSNH-UHFFFAOYSA-N |