2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2077 |
| Compound Name: | 2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 597.99 |
| Molecular Formula: | C28 H31 Cl3 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(c2ccccc2[Cl])=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4031 |
| logD: | 7.3923 |
| logSw: | -6.4313 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.034 |
| InChI Key: | ARZLYRKXRBYQRW-UHFFFAOYSA-N |