4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl methanesulfonate
4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V024-8036 |
| Compound Name: | 4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 355.5 |
| Molecular Formula: | C18 H29 N O4 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(C)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7307 |
| logD: | 3.7307 |
| logSw: | -3.8793 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.342 |
| InChI Key: | AUHCWVNSMHJGAF-UHFFFAOYSA-N |