5-(4-ethylphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-ethylphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-ethylphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0655 |
| Compound Name: | 5-(4-ethylphenyl)-1-[2-(4-methoxyphenyl)ethyl]-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: | CCc1ccc(cc1)N1C(C2C(C1=O)N(CCc1ccc(cc1)OC)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7987 |
| logD: | 2.7979 |
| logSw: | -2.9863 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.895 |
| InChI Key: | DCCASTXPYFBYFK-UHFFFAOYSA-N |