4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl methanesulfonate
4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V026-2725 |
| Compound Name: | 4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 375.91 |
| Molecular Formula: | C17 H26 Cl N O4 S |
| Smiles: | CC(C)N(Cc1cc(ccc1OS(C)(=O)=O)[Cl])C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1179 |
| logD: | 4.1179 |
| logSw: | -4.4662 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.173 |
| InChI Key: | KANCUMXGSZMWKM-UHFFFAOYSA-N |