2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl propane-2-sulfonate
2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V015-9837 |
| Compound Name: | 2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 369.52 |
| Molecular Formula: | C19 H31 N O4 S |
| Smiles: | CC(C)N(Cc1ccccc1OS(C(C)C)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.384 |
| logD: | 4.384 |
| logSw: | -4.424 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.057 |
| InChI Key: | CJCDICBBXJLNTJ-UHFFFAOYSA-N |