methyl 5-[rel-(3aR,4S,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
Chemical Structure Depiction of
methyl 5-[rel-(3aR,4S,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
methyl 5-[rel-(3aR,4S,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
Compound characteristics
| Compound ID: | 8019-8499 |
| Compound Name: | methyl 5-[rel-(3aR,4S,6aR)-3a-hydroxy-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate |
| Molecular Weight: | 274.34 |
| Molecular Formula: | C11 H18 N2 O4 S |
| Smiles: | COC(CCCC[C@@H]1[C@]2([C@@H](CS1)NC(N2)=O)O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4829 |
| logD: | 0.4829 |
| logSw: | -1.5913 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.524 |
| InChI Key: | IPJBYSCSCXDDEE-VHSKPIJISA-N |