1-(2,5-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,5-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V011-7960 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 439.46 |
| Molecular Formula: | C22 H18 F N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)C(CSc1nnc(c2ccco2)n1c1ccc(cc1)F)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0057 |
| logD: | 4.0057 |
| logSw: | -4.3955 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.712 |
| InChI Key: | QCPFOSMMZOEMIE-UHFFFAOYSA-N |