2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | G878-0232 |
| Compound Name: | 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C25 H19 F N4 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(c2c[nH]c3ccccc23)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0566 |
| logD: | 5.0566 |
| logSw: | -4.8432 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.374 |
| InChI Key: | JRWWUNKSGTWRHJ-UHFFFAOYSA-N |