5-(2-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(2-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(2-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0734 |
| Compound Name: | 5-(2-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 370.79 |
| Molecular Formula: | C18 H15 Cl N4 O3 |
| Smiles: | COc1cccc(CN2C3C(C(N(C3=O)c3ccccc3[Cl])=O)N=N2)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2023 |
| logD: | 2.202 |
| logSw: | -2.9895 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.615 |
| InChI Key: | XASPKVNCZUBUGH-UHFFFAOYSA-N |