2-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-nitrobenzamide
2-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 2043-0499 |
| Compound Name: | 2-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 349.79 |
| Molecular Formula: | C15 H12 Cl N3 O3 S |
| Smiles: | CCc1c(C#N)c(NC(c2ccc(cc2[Cl])[N+]([O-])=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.1835 |
| logD: | 0.4473 |
| logSw: | -4.8506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.562 |
| InChI Key: | BHQUAZKGHPKCAK-UHFFFAOYSA-N |