N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Chemical Structure Depiction of
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Compound characteristics
| Compound ID: | Y043-4595 |
| Compound Name: | N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C19 H25 N5 O2 S |
| Smiles: | Cn1c2ccccc2nc1CNC(CCCC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6128 |
| logD: | 1.6091 |
| logSw: | -2.2949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.088 |
| InChI Key: | WWKINDYJJBBKKK-JOQOYGCGSA-N |