N-[4-(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-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-methyl-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-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | D291-0235 |
| Compound Name: | N-[4-(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 453.27 |
| Molecular Formula: | C15 H13 Br N6 O4 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCc2cc3c(cc2[Br])OCO3)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6993 |
| logD: | 2.6946 |
| logSw: | -2.9832 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.456 |
| InChI Key: | LDMZGVDDQCAAPZ-UHFFFAOYSA-N |