(11aR)-3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N107-0176 |
| Compound Name: | (11aR)-3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 344.46 |
| Molecular Formula: | C19 H28 N4 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(CCn1c(C)cc(C)n1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.3025 |
| logD: | 0.3022 |
| logSw: | -0.8852 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.578 |
| InChI Key: | KVQQNFLHCWIGNZ-GVDBMIGSSA-N |