9,10-dimethoxy-6-{3-[(5RS)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-oxopropyl}-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
Chemical Structure Depiction of
9,10-dimethoxy-6-{3-[(5RS)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-oxopropyl}-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
9,10-dimethoxy-6-{3-[(5RS)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-oxopropyl}-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
Compound characteristics
| Compound ID: | Y043-8029 |
| Compound Name: | 9,10-dimethoxy-6-{3-[(5RS)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-oxopropyl}-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione |
| Molecular Weight: | 599.6 |
| Molecular Formula: | C31 H29 N5 O8 |
| Smiles: | COc1ccc2C3N(CCC(N4C[C@@H]5C[C@H](C4)CN4C5=CC=C(C4=O)[N+]([O-])=O)=O)C(c4ccccc4N3C(c2c1OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4483 |
| logD: | 2.4483 |
| logSw: | -2.8552 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 110.971 |
| InChI Key: | GBSXLOSSOHRFFD-SAXZKVMDSA-N |