methyl 5-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V012-0417 |
| Compound Name: | methyl 5-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3cc(cc(c3)OC)OC)n2c2ccccc2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6925 |
| logD: | 4.6925 |
| logSw: | -4.4705 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.815 |
| InChI Key: | WOPKZNRDXIQZHO-UHFFFAOYSA-N |