5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethanesulfonate
5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V013-2942 |
| Compound Name: | 5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 497.74 |
| Molecular Formula: | C26 H47 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CCN(C)C)C(CC(C)CC(C)(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7842 |
| logD: | 3.8954 |
| logSw: | -4.5482 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.969 |
| InChI Key: | WHCYCJFEODMNEP-OAQYLSRUSA-N |