N-[4-(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Chemical Structure Depiction of
N-[4-(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
N-[4-(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | D291-0105 |
| Compound Name: | N-[4-(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 467.3 |
| Molecular Formula: | C16 H15 Br N6 O4 S |
| Smiles: | CCn1c(c2c(NC(C)=O)non2)nnc1SCc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.3139 |
| logD: | 3.3091 |
| logSw: | -3.4447 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.371 |
| InChI Key: | ITSLITRSZYJIMO-UHFFFAOYSA-N |