methyl 5-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V011-7961 |
| Compound Name: | methyl 5-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 450.3 |
| Molecular Formula: | C19 H13 Cl2 N3 O4 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3ccco3)n2c2ccc(c(c2)[Cl])[Cl])o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1047 |
| logD: | 5.1047 |
| logSw: | -5.5824 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.306 |
| InChI Key: | CCBKJAFORVVKEJ-UHFFFAOYSA-N |