N-[4-(5-{[(3-bromophenyl)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-{[(3-bromophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
N-[4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | D291-0143 |
| Compound Name: | N-[4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 409.26 |
| Molecular Formula: | C14 H13 Br N6 O2 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCc2cccc(c2)[Br])non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7356 |
| logD: | 2.7309 |
| logSw: | -3.037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.341 |
| InChI Key: | ISSSYHFRYXYTOW-UHFFFAOYSA-N |