4-{[4-(dimethylamino)phenyl]methylidene}-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(dimethylamino)phenyl]methylidene}-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(dimethylamino)phenyl]methylidene}-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 0726-0036 |
| Compound Name: | 4-{[4-(dimethylamino)phenyl]methylidene}-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H23 N5 O4 |
| Smiles: | CN(C)c1ccc(/C=C2/C(=NN(C2=O)c2ccc(cc2)[N+]([O-])=O)N2CCOCC2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.121 |
| logD: | 3.1209 |
| logSw: | -3.3845 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.279 |
| InChI Key: | RUDKMYZVMSRQMB-UHFFFAOYSA-N |