(11aR)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N109-0046 |
| Compound Name: | (11aR)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C22 H31 N3 O2 S |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C1CCN(CC1)C(c1ccc(C)s1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8597 |
| logD: | -0.3559 |
| logSw: | -3.116 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.232 |
| InChI Key: | LBNYGSIRCQMSIB-ZHALLVOQSA-N |