ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1140-0269 |
| Compound Name: | ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C19 H20 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4877 |
| logD: | -0.3854 |
| logSw: | -4.5563 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.879 |
| InChI Key: | IUFBGDYJOOYKMO-UHFFFAOYSA-N |