ethyl 2-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate
ethyl 2-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | V013-7853 |
| Compound Name: | ethyl 2-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C21 H19 N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CCOC(c1csc(CSc2nnc(c3cccnc3)n2c2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.963 |
| logD: | 3.9588 |
| logSw: | -3.6832 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.485 |
| InChI Key: | QJKSERVZSKZAGB-UHFFFAOYSA-N |