(11aR)-3-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N107-0177 |
| Compound Name: | (11aR)-3-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C21 H23 F N4 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(c1cc(c2ccc(cc2)F)n[nH]1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6764 |
| logD: | 2.6758 |
| logSw: | -3.0604 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.61 |
| InChI Key: | SSIBPQVJDVWKRB-ZBQZNYHESA-N |