5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}pentanamide
Chemical Structure Depiction of
5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}pentanamide
5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}pentanamide
Compound characteristics
| Compound ID: | Y043-5177 |
| Compound Name: | 5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}pentanamide |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C22 H31 N5 O2 S |
| Smiles: | CC(C)n1c2ccccc2nc1CCNC(CCCC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1933 |
| logD: | 2.1922 |
| logSw: | -2.4914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.195 |
| InChI Key: | CQPDWWKQRXSCNI-CDXJDZJCSA-N |