1-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | Y508-4358 |
| Compound Name: | 1-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 536.59 |
| Molecular Formula: | C30 H28 N6 O4 |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)OC)N(C(CN2C3C(C(N(C3=O)c3ccc(C)cc3)=O)N=N2)=O)N=1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8564 |
| logD: | 3.8564 |
| logSw: | -4.0747 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 91.537 |
| InChI Key: | PCYNKWCZNZLSDF-UHFFFAOYSA-N |