2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8415-04115 |
| Compound Name: | 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C23 H19 N3 O2 S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC(c1ccc(cc1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9271 |
| logD: | 4.9271 |
| logSw: | -4.6751 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.046 |
| InChI Key: | FAPPGFPTGMYIFY-UHFFFAOYSA-N |