2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenoxyphenyl)ethan-1-one
2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8415-04124 |
| Compound Name: | 2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenoxyphenyl)ethan-1-one |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C24 H21 N3 O3 S |
| Smiles: | Cn1c(c2ccccc2OC)nnc1SCC(c1ccc(cc1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6314 |
| logD: | 4.6313 |
| logSw: | -4.562 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.676 |
| InChI Key: | VEANUHBKTMIWTM-UHFFFAOYSA-N |