5-(morpholin-4-yl)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-(morpholin-4-yl)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-(morpholin-4-yl)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8009-4848 |
| Compound Name: | 5-(morpholin-4-yl)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 423.38 |
| Molecular Formula: | C20 H17 N5 O6 |
| Smiles: | C1COCCN1C1/C(=C\c2cccc(c2)[N+]([O-])=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8394 |
| logD: | 2.8392 |
| logSw: | -3.2946 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.855 |
| InChI Key: | UPDKHKBGAGMXEM-UHFFFAOYSA-N |