5-(diethylamino)-2-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl ethanesulfonate
5-(diethylamino)-2-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-5410 |
| Compound Name: | 5-(diethylamino)-2-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 398.56 |
| Molecular Formula: | C20 H34 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C(C)C)C(C(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8562 |
| logD: | 3.8466 |
| logSw: | -3.8344 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.396 |
| InChI Key: | RVIOOLHZHXYQFR-UHFFFAOYSA-N |