N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Compound characteristics
| Compound ID: | 3966-3008 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide |
| Molecular Weight: | 435.39 |
| Molecular Formula: | C21 H17 N5 O6 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0783 |
| logD: | -0.0983 |
| logSw: | -2.2769 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.103 |
| InChI Key: | HCYZYXRMCGUVGV-UHFFFAOYSA-N |