2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0347 |
| Compound Name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CCOC(c1c2CCCCc2sc1NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5708 |
| logD: | -0.0642 |
| logSw: | -3.8338 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.521 |
| InChI Key: | AFIFPZBHHQTRGA-UHFFFAOYSA-N |