5-(diethylamino)-2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl ethanesulfonate
5-(diethylamino)-2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V002-8391 |
| Compound Name: | 5-(diethylamino)-2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 412.59 |
| Molecular Formula: | C21 H36 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(C(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2658 |
| logD: | 4.2562 |
| logSw: | -4.1777 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.653 |
| InChI Key: | XUHZSFSFVGNSNV-UHFFFAOYSA-N |