5-(4-butylphenyl)-1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-butylphenyl)-1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-butylphenyl)-1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0752 |
| Compound Name: | 5-(4-butylphenyl)-1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 464.91 |
| Molecular Formula: | C23 H21 Cl N6 O3 |
| Smiles: | CCCCc1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3ccc(cc3)[Cl])no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6812 |
| logD: | 4.6811 |
| logSw: | -4.8384 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | OVPOYPYKTCRYQV-UHFFFAOYSA-N |