8-benzyl-10-(3-nitrobenzoyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Chemical Structure Depiction of
8-benzyl-10-(3-nitrobenzoyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
8-benzyl-10-(3-nitrobenzoyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Compound characteristics
| Compound ID: | IB02-0376 |
| Compound Name: | 8-benzyl-10-(3-nitrobenzoyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione |
| Molecular Weight: | 479.49 |
| Molecular Formula: | C28 H21 N3 O5 |
| Smiles: | C(c1ccccc1)N1C(C2C(C(C(c3cccc(c3)[N+]([O-])=O)=O)N3C2C=Cc2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.98 |
| logD: | 3.98 |
| logSw: | -5.19 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 172.1 |
| InChI Key: | SGGDDFVLESAOHC-UHFFFAOYSA-N |