5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2089 |
| Compound Name: | 5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 543.55 |
| Molecular Formula: | C26 H36 Cl2 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(CC(C)C)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9816 |
| logD: | 6.9708 |
| logSw: | -6.5116 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.778 |
| InChI Key: | YXUHTEIBHMDUAC-UHFFFAOYSA-N |