ethyl 2-(2-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8007-0278 |
| Compound Name: | ethyl 2-(2-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(c1cccc(c1C)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3804 |
| logD: | -0.9309 |
| logSw: | -4.4978 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.879 |
| InChI Key: | YJGQDZZHAHCBOA-UHFFFAOYSA-N |