5-(4-methoxyphenyl)-1-{[4-(propan-2-yl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-methoxyphenyl)-1-{[4-(propan-2-yl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-methoxyphenyl)-1-{[4-(propan-2-yl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0515 |
| Compound Name: | 5-(4-methoxyphenyl)-1-{[4-(propan-2-yl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CC(C)c1ccc(CN2C3C(C(N(C3=O)c3ccc(cc3)OC)=O)N=N2)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.979 |
| logD: | 2.9789 |
| logSw: | -3.2187 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.916 |
| InChI Key: | PUOAYCNKPPLZKG-UHFFFAOYSA-N |