N-butyl-4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-butyl-4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzamide
N-butyl-4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2214 |
| Compound Name: | N-butyl-4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzamide |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C17 H17 Cl N2 O3 S |
| Smiles: | CCCCNC(c1ccc(c(c1)[N+]([O-])=O)Sc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2761 |
| logD: | 5.2761 |
| logSw: | -5.7067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.574 |
| InChI Key: | GVPNZOZAQWYYJR-UHFFFAOYSA-N |