2,2-bis[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-1-phenylethan-1-one
Chemical Structure Depiction of
2,2-bis[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-1-phenylethan-1-one
2,2-bis[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8008-7097 |
| Compound Name: | 2,2-bis[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-1-phenylethan-1-one |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C14 H12 N12 O S2 |
| Smiles: | c1ccc(cc1)C(C(Sc1nnc2n(cnn12)N)Sc1nnc2n(cnn12)N)=O |
| Stereo: | ACHIRAL |
| logP: | -1.0918 |
| logD: | -1.0918 |
| logSw: | -1.5389 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.586 |
| InChI Key: | DKPXQDYXLOAYNH-UHFFFAOYSA-N |