2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-6292 |
| Compound Name: | 2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 558.57 |
| Molecular Formula: | C26 H37 Cl2 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(NC(C)(C)C)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0533 |
| logD: | 7.0426 |
| logSw: | -6.4686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.272 |
| InChI Key: | NWGINDQPXANYRV-UHFFFAOYSA-N |