2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4,6-trimethylphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4,6-trimethylphenyl)ethan-1-one
2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4,6-trimethylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-2433 |
| Compound Name: | 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4,6-trimethylphenyl)ethan-1-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C24 H23 N3 O2 S |
| Smiles: | Cc1cc(C)c(C(CSc2nnc(c3ccoc3C)n2c2ccccc2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5001 |
| logD: | 5.5 |
| logSw: | -5.4797 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.192 |
| InChI Key: | CEIOENLUAAQQFD-UHFFFAOYSA-N |