1-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0445 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 384.82 |
| Molecular Formula: | C19 H17 Cl N4 O3 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(Cc1cccc(c1)[Cl])N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6829 |
| logD: | 2.6827 |
| logSw: | -3.2738 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.496 |
| InChI Key: | KOTAZHYEOLGCRH-UHFFFAOYSA-N |