5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl ethanesulfonate
5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9854 |
| Compound Name: | 5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C20 H35 N3 O4 S |
| Smiles: | CCNC(N(CC(C)C)Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6582 |
| logD: | 3.6486 |
| logSw: | -3.7344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.421 |
| InChI Key: | PJKJLMAAJAGRMP-UHFFFAOYSA-N |