N-(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-(1,3-benzothiazol-2-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
N-(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: | Y043-1749 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| Molecular Weight: | 376.5 |
| Molecular Formula: | C17 H20 N4 O2 S2 |
| Smiles: | C(CC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)CC(Nc1nc2ccccc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8224 |
| logD: | 2.8223 |
| logSw: | -3.3384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.54 |
| InChI Key: | AQZKODBLWDKBDP-NJZAAPMLSA-N |