ethyl 5-{[1-(4-acetylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-{[1-(4-acetylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
ethyl 5-{[1-(4-acetylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y010-1766 |
| Compound Name: | ethyl 5-{[1-(4-acetylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C18 H17 N5 O5 S2 |
| Smiles: | CCOC(c1c(n(c2ccc(cc2)C(C)=O)nn1)Sc1c(C(=O)OCC)nns1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7893 |
| logD: | 2.7893 |
| logSw: | -2.884 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 105.031 |
| InChI Key: | HOEPGIAMBBHKOW-UHFFFAOYSA-N |