6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}pyridazin-3(2H)-one
6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M455-0340 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}pyridazin-3(2H)-one |
| Molecular Weight: | 485.27 |
| Molecular Formula: | C21 H14 Br F N4 O4 |
| Smiles: | C(CN1C(C=CC(c2ccc3c(c2)OCO3)=N1)=O)c1nc(c2ccc(c(c2)[Br])F)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.874 |
| logD: | 4.874 |
| logSw: | -5.0186 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.984 |
| InChI Key: | USPHVVQZGANLFU-UHFFFAOYSA-N |