3-[2-oxo-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[2-oxo-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]quinazoline-2,4(1H,3H)-dione
3-[2-oxo-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | Y044-5031 |
| Compound Name: | 3-[2-oxo-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C21 H20 N4 O4 |
| Smiles: | C1[C@H]2CN(C[C@@H]1CN1C2=CC=CC1=O)C(CN1C(c2ccccc2NC1=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6564 |
| logD: | 1.6559 |
| logSw: | -2.5102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.572 |
| InChI Key: | YYCRNOSZBNAMNI-KBPBESRZSA-N |