ethyl 2-(4-amino-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-amino-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-amino-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 0337-0586 |
| Compound Name: | ethyl 2-(4-amino-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C18 H19 N3 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(c(c1)[N+]([O-])=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5751 |
| logD: | -1.3976 |
| logSw: | -4.2879 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.975 |
| InChI Key: | AJVKJGBGGXUSDR-UHFFFAOYSA-N |