2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-4-(methylsulfanyl)butanoic acid
Chemical Structure Depiction of
2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-4-(methylsulfanyl)butanoic acid
2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-4-(methylsulfanyl)butanoic acid
Compound characteristics
| Compound ID: | 8011-2492 |
| Compound Name: | 2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-4-(methylsulfanyl)butanoic acid |
| Molecular Weight: | 274.3 |
| Molecular Formula: | C9 H14 N4 O4 S |
| Smiles: | CSCCC(C(O)=O)N1C2C(NC(N2)=O)NC1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.1449 |
| logD: | -4.542 |
| logSw: | -1.4095 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.364 |
| InChI Key: | ZIJZHICDZSWHSK-UHFFFAOYSA-N |