2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-methylfuran-2-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-methylfuran-2-yl)ethan-1-one
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-methylfuran-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-2571 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-methylfuran-2-yl)ethan-1-one |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | Cc1ccc(C(CSc2nnc(c3ccc(cc3)OC)n2c2ccccc2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6676 |
| logD: | 4.6676 |
| logSw: | -4.4835 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.596 |
| InChI Key: | ZTELCCLVBRGBHV-UHFFFAOYSA-N |