ethyl 2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1065-0035 |
| Compound Name: | ethyl 2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 374.41 |
| Molecular Formula: | C18 H18 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0854 |
| logD: | -0.6875 |
| logSw: | -4.3197 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.18 |
| InChI Key: | KJVHSHQBZSMXTG-UHFFFAOYSA-N |