4-[(2-chlorophenyl)sulfanyl]-N-[2-(dimethylamino)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-chlorophenyl)sulfanyl]-N-[2-(dimethylamino)ethyl]-3-nitrobenzamide
4-[(2-chlorophenyl)sulfanyl]-N-[2-(dimethylamino)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2325 |
| Compound Name: | 4-[(2-chlorophenyl)sulfanyl]-N-[2-(dimethylamino)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 379.86 |
| Molecular Formula: | C17 H18 Cl N3 O3 S |
| Smiles: | CN(C)CCNC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6816 |
| logD: | 2.8424 |
| logSw: | -4.0767 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.439 |
| InChI Key: | JLWFSLFGBJZHML-UHFFFAOYSA-N |