3-[5-(2,3-dihydro-1-benzofuran-5-yl)-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-(2,3-dihydro-1-benzofuran-5-yl)-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-(2,3-dihydro-1-benzofuran-5-yl)-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: | Y041-8153 |
| Compound Name: | 3-[5-(2,3-dihydro-1-benzofuran-5-yl)-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: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | C1COc2ccc(cc12)c1cc(C(N2C[C@@H]3C[C@H](C2)CN2C3=CC=CC2=O)=O)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 3.1723 |
| logD: | 3.1723 |
| logSw: | -3.3784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.313 |
| InChI Key: | KLVJSZKYELEMLK-YOEHRIQHSA-N |