3-[3-(propan-2-yl)-1H-pyrazole-5-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-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-5971 |
| Compound Name: | 3-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | CC(C)c1cc(C(N2C[C@@H]3C[C@H](C2)CN2C3=CC=CC2=O)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.5016 |
| logD: | 2.5014 |
| logSw: | -2.5512 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.347 |
| InChI Key: | RIKLHWJVPPHCPR-STQMWFEESA-N |