2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 3334-3911 |
| Compound Name: | 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H18 F N3 O3 S |
| Smiles: | C1C(c2nnc(n2c2ccccc2)SCC(c2ccc(cc2)F)=O)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5411 |
| logD: | 4.5411 |
| logSw: | -4.6367 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.396 |
| InChI Key: | NIBAGCCDVVVRCI-QFIPXVFZSA-N |