2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl propane-2-sulfonate
2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V002-5837 |
| Compound Name: | 2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 355.5 |
| Molecular Formula: | C18 H29 N O4 S |
| Smiles: | CC(C)CC(N(Cc1ccccc1OS(C(C)C)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9318 |
| logD: | 3.9318 |
| logSw: | -4.0349 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.057 |
| InChI Key: | KLCOERYUJOMUDD-UHFFFAOYSA-N |