1-[(3-chlorophenyl)methyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(3-chlorophenyl)methyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0310 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 340.77 |
| Molecular Formula: | C17 H13 Cl N4 O2 |
| Smiles: | C(c1cccc(c1)[Cl])N1C2C(C(N(C2=O)c2ccccc2)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1924 |
| logD: | 2.1922 |
| logSw: | -2.9492 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | PTSFIWKTNVDUKK-UHFFFAOYSA-N |