ethyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8006-4158 |
| Compound Name: | ethyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C17 H21 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nccn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8585 |
| logD: | 0.8338 |
| logSw: | -3.2283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.504 |
| InChI Key: | MJOCXEQQBMAROE-UHFFFAOYSA-N |