3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8017-0249 |
| Compound Name: | 3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole |
| Molecular Weight: | 467.3 |
| Molecular Formula: | C16 H15 Br N6 O4 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.3942 |
| logD: | 2.3695 |
| logSw: | -2.2998 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.864 |
| InChI Key: | GCAQQFSJVZAAHO-UHFFFAOYSA-N |