N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Chemical Structure Depiction of
N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Compound characteristics
| Compound ID: | Y041-6414 |
| Compound Name: | N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-5-[rel-(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | [H][C@@]12[C@H](CCCCC(NCCN3C(C(Nc4ccccc34)=O)=O)=O)SC[C@]1([H])NC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.338 |
| logD: | 0.3054 |
| logSw: | -2.1107 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.252 |
| InChI Key: | GADLPLCJELUBFT-LXZKKBNFSA-N |