1,1'-(5,5'-dinitro-2H,2'H-[3,3'-bi-1,2,4-triazole]-2,2'-diyl)di(propan-2-one)
Chemical Structure Depiction of
1,1'-(5,5'-dinitro-2H,2'H-[3,3'-bi-1,2,4-triazole]-2,2'-diyl)di(propan-2-one)
1,1'-(5,5'-dinitro-2H,2'H-[3,3'-bi-1,2,4-triazole]-2,2'-diyl)di(propan-2-one)
Compound characteristics
| Compound ID: | Y500-1153 |
| Compound Name: | 1,1'-(5,5'-dinitro-2H,2'H-[3,3'-bi-1,2,4-triazole]-2,2'-diyl)di(propan-2-one) |
| Molecular Weight: | 338.24 |
| Molecular Formula: | C10 H10 N8 O6 |
| Smiles: | CC(Cn1c(c2nc(nn2CC(C)=O)[N+]([O-])=O)nc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.2309 |
| logD: | -1.2309 |
| logSw: | -0.2546 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 139.369 |
| InChI Key: | DKFQXWPTSSQGGN-UHFFFAOYSA-N |