5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V031-2031 |
| Compound Name: | 5-(diethylamino)-2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 440.65 |
| Molecular Formula: | C23 H40 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(CC(C)(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1418 |
| logD: | 5.1322 |
| logSw: | -5.0657 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.125 |
| InChI Key: | XRNAUNPLZIGCRN-UHFFFAOYSA-N |