2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | D291-0169 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 452.29 |
| Molecular Formula: | C15 H14 Br N7 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(Nc2ccc(cc2)[Br])=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2564 |
| logD: | 2.2517 |
| logSw: | -2.7156 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.49 |
| InChI Key: | VZYNRBCHEOGEPB-UHFFFAOYSA-N |