1-(4-fluorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-fluorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D423-0098 |
| Compound Name: | 1-(4-fluorophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H18 F N3 O2 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(c1ccc(cc1)F)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2119 |
| logD: | 4.2119 |
| logSw: | -4.3899 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.435 |
| InChI Key: | BXMZNHCLYIYMAZ-UHFFFAOYSA-N |