3-[(2-ethoxy-5-{(E)-[(4-oxoquinazolin-3(4H)-yl)imino]methyl}phenyl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-[(2-ethoxy-5-{(E)-[(4-oxoquinazolin-3(4H)-yl)imino]methyl}phenyl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[(2-ethoxy-5-{(E)-[(4-oxoquinazolin-3(4H)-yl)imino]methyl}phenyl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | K089-0024 |
| Compound Name: | 3-[(2-ethoxy-5-{(E)-[(4-oxoquinazolin-3(4H)-yl)imino]methyl}phenyl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C29 H29 N5 O3 |
| Smiles: | CCOc1ccc(/C=N/N2C=Nc3ccccc3C2=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1867 |
| logD: | 2.7758 |
| logSw: | -3.647 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.856 |
| InChI Key: | ZHZVHMRKLZSBPA-UHFFFAOYSA-N |