2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G865-0031 |
| Compound Name: | 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C24 H20 F N3 O2 S |
| Smiles: | C(c1ccccc1)n1c(COc2ccccc2)nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5395 |
| logD: | 4.5395 |
| logSw: | -4.5885 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.691 |
| InChI Key: | BBWQRAWQEPNPTC-UHFFFAOYSA-N |