4-(3,4-dimethylphenyl)-2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(3,4-dimethylphenyl)-2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}phthalazin-1(2H)-one
4-(3,4-dimethylphenyl)-2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | L100-0179 |
| Compound Name: | 4-(3,4-dimethylphenyl)-2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}phthalazin-1(2H)-one |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C28 H26 N4 O4 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C(c3ccccc3C(c3ccc(C)c(C)c3)=N2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.5267 |
| logD: | 5.5266 |
| logSw: | -5.4176 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.379 |
| InChI Key: | SURHCARRCLVSMU-UHFFFAOYSA-N |