3-[2-(9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-2-oxoethyl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[2-(9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-2-oxoethyl]quinazoline-2,4(1H,3H)-dione
3-[2-(9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-2-oxoethyl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | Y043-8032 |
| Compound Name: | 3-[2-(9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-2-oxoethyl]quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 437.41 |
| Molecular Formula: | C21 H19 N5 O6 |
| Smiles: | C1[C@H]2CN(C[C@@H]1CN1C2=CC=C(C1=O)[N+]([O-])=O)C(CN1C(c2ccccc2NC1=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6829 |
| logD: | 1.6825 |
| logSw: | -2.6455 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.402 |
| InChI Key: | MYPWPHBLSVSGHY-STQMWFEESA-N |