2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)phthalazin-1(2H)-one
2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | L100-0042 |
| Compound Name: | 2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)phthalazin-1(2H)-one |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C26 H22 N4 O4 |
| Smiles: | Cc1ccc(cc1)C1c2ccccc2C(N(Cc2nc(c3ccc(c(c3)OC)OC)no2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4717 |
| logD: | 4.4715 |
| logSw: | -4.4488 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.799 |
| InChI Key: | XEOVGNSJTDKACB-UHFFFAOYSA-N |