ethyl (2-{5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1,3-thiazol-4-yl)acetate
Chemical Structure Depiction of
ethyl (2-{5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1,3-thiazol-4-yl)acetate
ethyl (2-{5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1,3-thiazol-4-yl)acetate
Compound characteristics
| Compound ID: | Y043-1767 |
| Compound Name: | ethyl (2-{5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1,3-thiazol-4-yl)acetate |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C17 H24 N4 O4 S2 |
| Smiles: | CCOC(Cc1csc(NC(CCCC[C@H]2[C@@H]3[C@H](CS2)NC(N3)=O)=O)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8578 |
| logD: | 1.8543 |
| logSw: | -2.4956 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.479 |
| InChI Key: | JGBCTMBSUIQSPW-YWPYICTPSA-N |