5-(3-chloro-4-methoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chloro-4-methoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chloro-4-methoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0479 |
| Compound Name: | 5-(3-chloro-4-methoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 398.85 |
| Molecular Formula: | C20 H19 Cl N4 O3 |
| Smiles: | Cc1ccc(C)c(CN2C3C(C(N(C3=O)c3ccc(c(c3)[Cl])OC)=O)N=N2)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2175 |
| logD: | 3.217 |
| logSw: | -3.2343 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.003 |
| InChI Key: | HKJXTJIJQMMCNG-UHFFFAOYSA-N |