(1S)-3-[(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(1S)-3-[(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(1S)-3-[(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-4172 |
| Compound Name: | (1S)-3-[(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 436.47 |
| Molecular Formula: | C23 H24 N4 O5 |
| Smiles: | COc1cc2C(N(CC(N3C[C@@H]4C[C@H](C3)CN3C4=CC=CC3=O)=O)C=Nc2cc1OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1711 |
| logD: | 1.171 |
| logSw: | -1.746 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.691 |
| InChI Key: | KFMHQQSBAPRORO-CABCVRRESA-N |