3-(5-phenyl-1H-pyrazole-3-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-(5-phenyl-1H-pyrazole-3-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(5-phenyl-1H-pyrazole-3-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y041-8155 |
| Compound Name: | 3-(5-phenyl-1H-pyrazole-3-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | C1[C@H]2CN(C[C@@H]1CN1C2=CC=CC1=O)C(c1cc(c2ccccc2)[nH]n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0813 |
| logD: | 3.0812 |
| logSw: | -3.4174 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.075 |
| InChI Key: | YGCYSSYTXXZIQW-HOCLYGCPSA-N |