ethyl 2-(4-chloro-3-nitrobenzamido)-4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloro-3-nitrobenzamido)-4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate
ethyl 2-(4-chloro-3-nitrobenzamido)-4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3047-5005 |
| Compound Name: | ethyl 2-(4-chloro-3-nitrobenzamido)-4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate |
| Molecular Weight: | 555.92 |
| Molecular Formula: | C23 H17 Cl F3 N3 O6 S |
| Smiles: | CCOC(c1c(C)c(C(Nc2ccccc2C(F)(F)F)=O)sc1NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1786 |
| logD: | -1.3 |
| logSw: | -5.6054 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.352 |
| InChI Key: | OEQGHUWTWYMXJK-UHFFFAOYSA-N |