1,1'-(piperazine-1,4-diyl)bis{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]ethan-1-one}
Chemical Structure Depiction of
1,1'-(piperazine-1,4-diyl)bis{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]ethan-1-one}
1,1'-(piperazine-1,4-diyl)bis{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]ethan-1-one}
Compound characteristics
| Compound ID: | 8006-2504 |
| Compound Name: | 1,1'-(piperazine-1,4-diyl)bis{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]ethan-1-one} |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C14 H18 N14 O2 S2 |
| Smiles: | C1CN(CCN1C(CSc1nnc2n(cnn12)N)=O)C(CSc1nnc2n(cnn12)N)=O |
| Stereo: | ACHIRAL |
| logP: | -3.7618 |
| logD: | -3.7619 |
| logSw: | -0.8453 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 141.44 |
| InChI Key: | DIKMIQGPPHILAW-UHFFFAOYSA-N |