5-(2,4-dichlorophenyl)-1-(2-{(7E)-3-(2,4-dichlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-d ione
Chemical Structure Depiction of
5-(2,4-dichlorophenyl)-1-(2-{(7E)-3-(2,4-dichlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-d ione
5-(2,4-dichlorophenyl)-1-(2-{(7E)-3-(2,4-dichlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-d ione
Compound characteristics
| Compound ID: | Y501-9672 |
| Compound Name: | 5-(2,4-dichlorophenyl)-1-(2-{(7E)-3-(2,4-dichlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-d ione |
| Molecular Weight: | 751.28 |
| Molecular Formula: | C32 H22 Cl6 N6 O3 |
| Smiles: | C1CC2C(c3ccc(cc3[Cl])[Cl])N(C(CN3C4C(C(N(C4=O)c4ccc(cc4[Cl])[Cl])=O)N=N3)=O)N=C2C(\C1)=C\c1ccc(cc1[Cl])[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.5201 |
| logD: | 8.5199 |
| logSw: | -6.8506 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.127 |
| InChI Key: | ZMRWHIBHQGPKIU-UHFFFAOYSA-N |