2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-one
Chemical Structure Depiction of
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-one
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | G865-0010 |
| Compound Name: | 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-one |
| Molecular Weight: | 481.52 |
| Molecular Formula: | C25 H21 F2 N3 O3 S |
| Smiles: | [H]C(Oc1ccc(cc1)C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.5957 |
| logD: | 4.5957 |
| logSw: | -4.6433 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.297 |
| InChI Key: | FIYGAARNQWXXCO-UHFFFAOYSA-N |