1-(3-chloro-4-methylphenyl)-5-(2,3-dihydro-1H-inden-5-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-5-(2,3-dihydro-1H-inden-5-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3-chloro-4-methylphenyl)-5-(2,3-dihydro-1H-inden-5-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0513 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-5-(2,3-dihydro-1H-inden-5-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 380.83 |
| Molecular Formula: | C20 H17 Cl N4 O2 |
| Smiles: | Cc1ccc(cc1[Cl])N1C2C(C(N(C2=O)c2ccc3CCCc3c2)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0222 |
| logD: | 4.0218 |
| logSw: | -4.2884 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.24 |
| InChI Key: | NSTJIJWDJGNOQC-UHFFFAOYSA-N |