N-(2-oxo-2H-1-benzopyran-6-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Chemical Structure Depiction of
N-(2-oxo-2H-1-benzopyran-6-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
N-(2-oxo-2H-1-benzopyran-6-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Compound characteristics
| Compound ID: | Y043-1759 |
| Compound Name: | N-(2-oxo-2H-1-benzopyran-6-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Smiles: | C(CC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)CC(Nc1ccc2c(C=CC(=O)O2)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6091 |
| logD: | 1.6091 |
| logSw: | -2.3025 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.186 |
| InChI Key: | QUTINCMGJSHKMN-JOQOYGCGSA-N |