4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-bromophenyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-bromophenyl)phthalazin-1(2H)-one
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-bromophenyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F990-0308 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-bromophenyl)phthalazin-1(2H)-one |
| Molecular Weight: | 489.28 |
| Molecular Formula: | C23 H13 Br N4 O4 |
| Smiles: | C1Oc2ccc(cc2O1)c1nc(C2c3ccccc3C(N(c3cccc(c3)[Br])N=2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.3924 |
| logD: | 5.3916 |
| logSw: | -5.7997 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.569 |
| InChI Key: | CTEBOSMKDUHERP-UHFFFAOYSA-N |