rel-(3aR,4R,6aS)-4-[5-oxo-5-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)pentyl]tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
Chemical Structure Depiction of
rel-(3aR,4R,6aS)-4-[5-oxo-5-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)pentyl]tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
rel-(3aR,4R,6aS)-4-[5-oxo-5-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)pentyl]tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
Compound characteristics
| Compound ID: | Y043-2577 |
| Compound Name: | rel-(3aR,4R,6aS)-4-[5-oxo-5-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)pentyl]tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | C(CC[C@H]1[C@@H]2[C@H](CS1)NC(N2)=O)CC(N1CCc2c(C1)c1ccccc1[nH]2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8814 |
| logD: | 1.8814 |
| logSw: | -2.5438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.534 |
| InChI Key: | CBXOPGGSUUGLQL-NSHGMRRFSA-N |