methyl 2-(2-chloro-5-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-chloro-5-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-chloro-5-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8011-9342 |
| Compound Name: | methyl 2-(2-chloro-5-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 394.83 |
| Molecular Formula: | C17 H15 Cl N2 O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2294 |
| logD: | -1.4829 |
| logSw: | -4.9195 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.6 |
| InChI Key: | GRHHUQLKYMETJQ-UHFFFAOYSA-N |