2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[4-(propan-2-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[4-(propan-2-yl)phenyl]phthalazin-1(2H)-one
2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[4-(propan-2-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | L100-0252 |
| Compound Name: | 2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[4-(propan-2-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C28 H26 N4 O4 |
| Smiles: | CC(C)c1ccc(cc1)C1c2ccccc2C(N(Cc2nc(c3ccc(c(c3)OC)OC)no2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3865 |
| logD: | 5.3863 |
| logSw: | -5.4488 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.799 |
| InChI Key: | JZKWPEWOCHSVIX-UHFFFAOYSA-N |