methyl 5-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V011-6325 |
| Compound Name: | methyl 5-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H16 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3ccccc3[Cl])n2c2ccccc2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9571 |
| logD: | 4.9571 |
| logSw: | -4.9416 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.728 |
| InChI Key: | RZQVKGFUTNWYTL-UHFFFAOYSA-N |