3,3'-[2H-1,3-benzodioxole-5,6-diylbis(methylenesulfanediyl)]bis[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole]
Chemical Structure Depiction of
3,3'-[2H-1,3-benzodioxole-5,6-diylbis(methylenesulfanediyl)]bis[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole]
3,3'-[2H-1,3-benzodioxole-5,6-diylbis(methylenesulfanediyl)]bis[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole]
Compound characteristics
| Compound ID: | 8019-3826 |
| Compound Name: | 3,3'-[2H-1,3-benzodioxole-5,6-diylbis(methylenesulfanediyl)]bis[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole] |
| Molecular Weight: | 618.65 |
| Molecular Formula: | C27 H22 N8 O6 S2 |
| Smiles: | Cn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1cc2c(cc1CSc1nnc(c3ccc(cc3)[N+]([O-])=O)n1C)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.5937 |
| logD: | 5.5937 |
| logSw: | -5.4624 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 133.742 |
| InChI Key: | IXXJUHJJBNXCFY-UHFFFAOYSA-N |