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-amine
Chemical Structure Depiction of
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-amine
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-amine
Compound characteristics
| Compound ID: | 8018-4081 |
| Compound Name: | 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-amine |
| Molecular Weight: | 425.26 |
| Molecular Formula: | C14 H13 Br N6 O3 S |
| Smiles: | CCn1c(c2c(N)non2)nnc1SCc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.2745 |
| logD: | 3.2745 |
| logSw: | -3.318 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.166 |
| InChI Key: | QCIGPMQAVRAPFJ-UHFFFAOYSA-N |