ethyl 5-{[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
ethyl 5-{[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y010-1623 |
| Compound Name: | ethyl 5-{[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate |
| Molecular Weight: | 423.44 |
| Molecular Formula: | C16 H14 F N5 O4 S2 |
| Smiles: | CCOC(c1c(n(c2ccc(cc2)F)nn1)Sc1c(C(=O)OCC)nns1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2763 |
| logD: | 3.2763 |
| logSw: | -3.2798 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.204 |
| InChI Key: | ZKZKGHBLAHSCIM-UHFFFAOYSA-N |