(11aR)-3-(3-phenyl-1H-pyrazole-4-carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-(3-phenyl-1H-pyrazole-4-carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-(3-phenyl-1H-pyrazole-4-carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N107-0181 |
| Compound Name: | (11aR)-3-(3-phenyl-1H-pyrazole-4-carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C21 H24 N4 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(c1c[nH]nc1c1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8133 |
| logD: | 1.8133 |
| logSw: | -2.5207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.31 |
| InChI Key: | FYBGLGKVEBQODV-YXJHDRRASA-N |