N-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide
Chemical Structure Depiction of
N-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide
N-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide
Compound characteristics
| Compound ID: | 3652-0058 |
| Compound Name: | N-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide |
| Molecular Weight: | 588.62 |
| Molecular Formula: | C34 H28 N4 O6 |
| Smiles: | CC1CC(c2ccccc2N1C(C(C)N1C(c2ccccc2C1=O)=O)=O)N(C(c1cccc(c1)[N+]([O-])=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2685 |
| logD: | 5.2685 |
| logSw: | -5.3507 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.714 |
| InChI Key: | KGWGLPOUBLASOV-UHFFFAOYSA-N |