5-ethoxy-2-(4-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-ethoxy-2-(4-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
5-ethoxy-2-(4-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2339-2162 |
| Compound Name: | 5-ethoxy-2-(4-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | CCOC1/C(=C/c2ccc(cc2)C(C)C)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9999 |
| logD: | 4.9999 |
| logSw: | -4.5414 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.947 |
| InChI Key: | DBAYNCYIFYUCQN-UHFFFAOYSA-N |