4-chloro-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl methanesulfonate
4-chloro-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V024-8034 |
| Compound Name: | 4-chloro-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 389.94 |
| Molecular Formula: | C18 H28 Cl N O4 S |
| Smiles: | CC(C)CN(Cc1cc(ccc1OS(C)(=O)=O)[Cl])C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5497 |
| logD: | 4.5497 |
| logSw: | -4.6399 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.429 |
| InChI Key: | XFZDGEYRUHSHAS-UHFFFAOYSA-N |