4-chloro-N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3-nitrobenzamide
4-chloro-N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y501-0894 |
| Compound Name: | 4-chloro-N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C19 H12 Cl N3 O3 S |
| Smiles: | Cc1c(c2ccccc2)c(C#N)c(NC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7021 |
| logD: | 2.5588 |
| logSw: | -5.1172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.989 |
| InChI Key: | NEALZMPJGRAKNJ-UHFFFAOYSA-N |