N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Chemical Structure Depiction of
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Compound characteristics
| Compound ID: | Y043-1754 |
| Compound Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C18 H22 N4 O3 S2 |
| Smiles: | COc1ccc2c(c1)sc(NC(CCCC[C@H]1[C@@H]3[C@H](CS1)NC(N3)=O)=O)n2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.879 |
| logD: | 2.879 |
| logSw: | -3.4882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.084 |
| InChI Key: | YFHZNJBODSYVNJ-WOSRLPQWSA-N |