3-[3-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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: | Y043-4959 |
| Compound Name: | 3-[3-(2-methylpropyl)-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: | 340.42 |
| Molecular Formula: | C19 H24 N4 O2 |
| Smiles: | CC(C)Cc1cc(C(N2C[C@@H]3C[C@H](C2)CN2C3=CC=CC2=O)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.927 |
| logD: | 2.9269 |
| logSw: | -3.1558 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.842 |
| InChI Key: | GKWHENHEYCEFQT-KBPBESRZSA-N |