ethyl 5-{[1-(3,4-dimethylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-{[1-(3,4-dimethylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
ethyl 5-{[1-(3,4-dimethylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y010-1622 |
| Compound Name: | ethyl 5-{[1-(3,4-dimethylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C18 H19 N5 O4 S2 |
| Smiles: | CCOC(c1c(n(c2ccc(C)c(C)c2)nn1)Sc1c(C(=O)OCC)nns1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3747 |
| logD: | 4.3747 |
| logSw: | -4.2276 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.204 |
| InChI Key: | LVYKUXKIJQQRPB-UHFFFAOYSA-N |