ethyl 5-acetyl-4-methyl-2-{[2,2,2-trichloro-1-(3-nitrobenzamido)ethyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-{[2,2,2-trichloro-1-(3-nitrobenzamido)ethyl]amino}thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-{[2,2,2-trichloro-1-(3-nitrobenzamido)ethyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1503-0067 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-{[2,2,2-trichloro-1-(3-nitrobenzamido)ethyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 522.79 |
| Molecular Formula: | C19 H18 Cl3 N3 O6 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0944 |
| logD: | 3.0872 |
| logSw: | -4.7606 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.206 |
| InChI Key: | NDLNHEOGKKWIJR-SFHVURJKSA-N |