ethyl 2-(2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8016-5237 |
| Compound Name: | ethyl 2-(2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C19 H20 N4 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(c2ccco2)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9301 |
| logD: | 0.8788 |
| logSw: | -3.3561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.67 |
| InChI Key: | FLESOSVUQYPLNP-UHFFFAOYSA-N |