ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(4-nitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(4-nitrobenzamido)thiophene-3-carboxylate
ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(4-nitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2017-2402 |
| Compound Name: | ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(4-nitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 487.92 |
| Molecular Formula: | C22 H18 Cl N3 O6 S |
| Smiles: | CCOC(c1c(C)c(C(Nc2cccc(c2)[Cl])=O)sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9289 |
| logD: | 0.3564 |
| logSw: | -5.1746 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.35 |
| InChI Key: | GGOGTGUZBFNUAC-UHFFFAOYSA-N |