5-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0754 |
| Compound Name: | 5-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 350.38 |
| Molecular Formula: | C19 H18 N4 O3 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C2C(C1=O)N(c1cccc(c1)OC)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1394 |
| logD: | 3.1392 |
| logSw: | -3.1414 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.497 |
| InChI Key: | KDKDTASWZUTCBV-UHFFFAOYSA-N |