3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8020-8844 |
| Compound Name: | 3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 328.18 |
| Molecular Formula: | C11 H10 Br N3 O2 S |
| Smiles: | Cn1cnnc1SCc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.4725 |
| logD: | 2.4725 |
| logSw: | -2.5442 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.848 |
| InChI Key: | NOHQFZZKLGNGBO-UHFFFAOYSA-N |