N-[3-cyano-4-(3,4-dichlorophenyl)thiophen-2-yl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[3-cyano-4-(3,4-dichlorophenyl)thiophen-2-yl]-2-nitrobenzamide
N-[3-cyano-4-(3,4-dichlorophenyl)thiophen-2-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-7360 |
| Compound Name: | N-[3-cyano-4-(3,4-dichlorophenyl)thiophen-2-yl]-2-nitrobenzamide |
| Molecular Weight: | 418.26 |
| Molecular Formula: | C18 H9 Cl2 N3 O3 S |
| Smiles: | C(c1c(csc1NC(c1ccccc1[N+]([O-])=O)=O)c1ccc(c(c1)[Cl])[Cl])#N |
| Stereo: | ACHIRAL |
| logP: | 5.1152 |
| logD: | 3.6636 |
| logSw: | -5.805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.989 |
| InChI Key: | RVLRAWKJBWDMEW-UHFFFAOYSA-N |