2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V031-1940 |
| Compound Name: | 2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 440.65 |
| Molecular Formula: | C23 H40 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1741 |
| logD: | 5.1645 |
| logSw: | -5.0725 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.453 |
| InChI Key: | MMSHVYRNDOOYSI-SFHVURJKSA-N |