N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Compound characteristics
| Compound ID: | Y043-1743 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C20 H29 N3 O4 S |
| Smiles: | COc1ccc(CCNC(CCCC[C@H]2[C@@H]3[C@H](CS2)NC(N3)=O)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0447 |
| logD: | 1.0447 |
| logSw: | -2.1775 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.204 |
| InChI Key: | GTNYVIGXAXIFDC-YJLNNSPDSA-N |