2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8415-04116 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C28 H21 N3 O2 S |
| Smiles: | C(C(c1ccc(cc1)Oc1ccccc1)=O)Sc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3782 |
| logD: | 6.3782 |
| logSw: | -6.124 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.707 |
| InChI Key: | XXSIALJMWDHBDM-UHFFFAOYSA-N |