2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one
2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V008-9883 |
| Compound Name: | 2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H16 F N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CSc1nnc(c2ccco2)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1906 |
| logD: | 4.1906 |
| logSw: | -4.5019 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.082 |
| InChI Key: | BLRVLPPHELPJSN-UHFFFAOYSA-N |