methyl 2-(2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2425-4457 |
| Compound Name: | methyl 2-(2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C17 H16 N2 O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4459 |
| logD: | -2.6386 |
| logSw: | -4.1903 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.299 |
| InChI Key: | COTHJVVAZMHQTJ-UHFFFAOYSA-N |