5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-7205 |
| Compound Name: | 5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 426.62 |
| Molecular Formula: | C22 H38 N2 O4 S |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(CC(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6262 |
| logD: | 4.6166 |
| logSw: | -4.4049 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.125 |
| InChI Key: | OAUXDJVHBSDWPE-UHFFFAOYSA-N |