2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2690 |
| Compound Name: | 2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 543.55 |
| Molecular Formula: | C26 H36 Cl2 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)N(CC)CC)C(CC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0773 |
| logD: | 7.0666 |
| logSw: | -6.5116 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.106 |
| InChI Key: | DWOARNVDADVCJJ-IBGZPJMESA-N |