N-[3-(2-methyl-2H-tetrazol-5-yl)phenyl]-5-[rel-(3aR,4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Chemical Structure Depiction of
N-[3-(2-methyl-2H-tetrazol-5-yl)phenyl]-5-[rel-(3aR,4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
N-[3-(2-methyl-2H-tetrazol-5-yl)phenyl]-5-[rel-(3aR,4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Compound characteristics
| Compound ID: | Y043-4003 |
| Compound Name: | N-[3-(2-methyl-2H-tetrazol-5-yl)phenyl]-5-[rel-(3aR,4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C18 H23 N7 O2 S |
| Smiles: | Cn1nc(c2cccc(c2)NC(CCCC[C@H]2[C@@H]3C(CS2)NC(N3)=O)=O)nn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5789 |
| logD: | 1.5789 |
| logSw: | -2.4529 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.916 |
| InChI Key: | XCUYUNFMPRKELB-VVRWDSKXSA-N |