5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Chemical Structure Depiction of
5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Compound characteristics
| Compound ID: | Y043-8158 |
| Compound Name: | 5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid |
| Molecular Weight: | 244.31 |
| Molecular Formula: | C10 H16 N2 O3 S |
| Smiles: | C(CC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)CC(O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4671 |
| logD: | -2.3611 |
| logSw: | -1.55 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.285 |
| InChI Key: | YBJHBAHKTGYVGT-OOZYFLPDSA-N |