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| Duplicate ID | |
|---|---|
| Molecule Name | 10-(1,3-benzodioxol-5-yl)-8-[(2,4-dichlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione |
| Smiles | Clc1ccc(c(c1)Cl)C(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3 |
| InchiKey | RLOSWFLUSQAAAE-UHFFFAOYSA-N |
| InChi | InChI=1S/C28H18Cl2N2O5/c29-15-5-7-18(19(30)11-15)26(33)25-23-22(24-17-4-2-1-3-14(17)9-10-31(24)25)27(34)32(28(23)35)16-6-8-20-21(12-16)37-13-36-20/h1-12,22-25H,13H2 |
| Formula | C28H18Cl2N2O5 |
| Molecular weight | 533.359 |
| Rings | 7 |
| logP | 5.1233 |
| PSA | 76.15 |
| MR | 144.057 |