3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8017-7431 |
| Compound Name: | 3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 422.3 |
| Molecular Formula: | C17 H16 Br N3 O3 S |
| Smiles: | CCn1c(c2ccoc2C)nnc1SCc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.2856 |
| logD: | 4.2851 |
| logSw: | -4.3679 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.314 |
| InChI Key: | HMBCINWLBYTWGH-UHFFFAOYSA-N |