ethyl 2-(2-chloro-4-nitrobenzamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-chloro-4-nitrobenzamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-chloro-4-nitrobenzamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-7012 |
| Compound Name: | ethyl 2-(2-chloro-4-nitrobenzamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 436.91 |
| Molecular Formula: | C20 H21 Cl N2 O5 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(c3ccc(cc3[Cl])[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5949 |
| logD: | 0.8493 |
| logSw: | -6.2365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.18 |
| InChI Key: | ZCSGGMXHKODRPQ-LLVKDONJSA-N |