2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methoxyphenyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methoxyphenyl)phthalazin-1(2H)-one
2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methoxyphenyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | L100-0329 |
| Compound Name: | 2-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methoxyphenyl)phthalazin-1(2H)-one |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C27 H24 N4 O5 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C(c3ccccc3C(c3ccc(cc3)OC)=N2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.3763 |
| logD: | 4.3762 |
| logSw: | -4.3944 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.923 |
| InChI Key: | MPDRQPRFTMBXPM-UHFFFAOYSA-N |