2,2'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]di(dihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione)
Chemical Structure Depiction of
2,2'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]di(dihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione)
2,2'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]di(dihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione)
Compound characteristics
| Compound ID: | 8018-7194 |
| Compound Name: | 2,2'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]di(dihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione) |
| Molecular Weight: | 658.71 |
| Molecular Formula: | C27 H30 N8 O8 S2 |
| Smiles: | C1CN2C(N(C(N2C1)=O)c1ccc(cc1)S(N1CCCN(CC1)S(c1ccc(cc1)N1C(N2CCCN2C1=O)=O)(=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6109 |
| logD: | 0.6109 |
| logSw: | -2.2261 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 136.863 |
| InChI Key: | JUEBIXRXCKAQQD-UHFFFAOYSA-N |