2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Compound characteristics
| Compound ID: | 3257-2010 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate |
| Molecular Weight: | 554.52 |
| Molecular Formula: | C29 H22 N4 O8 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N1C(c2ccc(cc2C1=O)C(=O)OCC(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6923 |
| logD: | 3.6923 |
| logSw: | -4.0553 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 116.165 |
| InChI Key: | OUMVJEBNCRCMIG-UHFFFAOYSA-N |