5-(diethylamino)-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
5-(diethylamino)-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2736 |
| Compound Name: | 5-(diethylamino)-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 559.55 |
| Molecular Formula: | C26 H36 Cl2 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CCOC)C(CC(C)(C)C)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2339 |
| logD: | 6.2232 |
| logSw: | -6.1758 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.099 |
| InChI Key: | NVQAIOSBSNKPDZ-UHFFFAOYSA-N |