2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2654 |
| Compound Name: | 2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 529.53 |
| Molecular Formula: | C25 H34 Cl2 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)N(CC)CC)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6757 |
| logD: | 6.6649 |
| logSw: | -6.3875 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.634 |
| InChI Key: | AGZCCUKNURIWCV-SFHVURJKSA-N |