ethyl 2-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate
ethyl 2-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | V011-4910 |
| Compound Name: | ethyl 2-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C21 H17 F N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CCOC(c1csc(CSc2nnc(c3ccc(cc3)F)n2c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9277 |
| logD: | 4.9277 |
| logSw: | -4.6345 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.967 |
| InChI Key: | ROFSARQUXKKZAA-UHFFFAOYSA-N |