4-chloro-2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl methanesulfonate
4-chloro-2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V026-8308 |
| Compound Name: | 4-chloro-2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 361.89 |
| Molecular Formula: | C16 H24 Cl N O4 S |
| Smiles: | CC(C)CC(N(Cc1cc(ccc1OS(C)(=O)=O)[Cl])C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6657 |
| logD: | 3.6657 |
| logSw: | -4.0193 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.173 |
| InChI Key: | MIGNYACIWJOIMT-UHFFFAOYSA-N |