methyl 4-{5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}benzoate
Chemical Structure Depiction of
methyl 4-{5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}benzoate
methyl 4-{5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}benzoate
Compound characteristics
| Compound ID: | Y043-1751 |
| Compound Name: | methyl 4-{5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}benzoate |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CCCC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1434 |
| logD: | 2.1433 |
| logSw: | -2.6545 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.953 |
| InChI Key: | NZWNXXCWEVAFQZ-LZWOXQAQSA-N |