1-benzyl-5-(3-chloro-4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-benzyl-5-(3-chloro-4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-benzyl-5-(3-chloro-4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0467 |
| Compound Name: | 1-benzyl-5-(3-chloro-4-methoxyphenyl)-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: | COc1ccc(cc1[Cl])N1C(C2C(C1=O)N(Cc1ccccc1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0337 |
| logD: | 2.0333 |
| logSw: | -2.8661 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.003 |
| InChI Key: | TVLMVWSDOOYSDP-UHFFFAOYSA-N |