methyl 5-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V013-7864 |
| Compound Name: | methyl 5-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C20 H15 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3cccnc3)n2c2cccc(c2)[Cl])o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9752 |
| logD: | 3.971 |
| logSw: | -4.2779 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.246 |
| InChI Key: | DHLQAPSCMISNRE-UHFFFAOYSA-N |