ethyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-3500 |
| Compound Name: | ethyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 393.53 |
| Molecular Formula: | C18 H23 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nccn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3544 |
| logD: | 1.3297 |
| logSw: | -3.6623 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.835 |
| InChI Key: | SARJQOUQQUWSEH-UHFFFAOYSA-N |