5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(propan-2-yl)-1H-benzimidazol-5-yl]pentanamide
Chemical Structure Depiction of
5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(propan-2-yl)-1H-benzimidazol-5-yl]pentanamide
5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(propan-2-yl)-1H-benzimidazol-5-yl]pentanamide
Compound characteristics
| Compound ID: | Y043-3499 |
| Compound Name: | 5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[2-(propan-2-yl)-1H-benzimidazol-5-yl]pentanamide |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C20 H27 N5 O2 S |
| Smiles: | CC(C)c1nc2cc(ccc2[nH]1)NC(CCCC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6744 |
| logD: | 2.6295 |
| logSw: | -3.1973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 80.07 |
| InChI Key: | GZFUKQONLJHXCW-JZXOWHBKSA-N |