5-ethoxy-2-(4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-ethoxy-2-(4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-ethoxy-2-(4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2339-2199 |
| Compound Name: | 5-ethoxy-2-(4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 427.41 |
| Molecular Formula: | C21 H21 N3 O7 |
| Smiles: | CCOC1/C(=C/c2cc(c(c(c2)OC)OC)OC)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4107 |
| logD: | 3.4107 |
| logSw: | -3.7026 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.925 |
| InChI Key: | NFTRGCIPIGISEW-UHFFFAOYSA-N |