(4E)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]-2-phenylpyrazolidin-3-one
Formula:C20H21N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]-2-phenylpyrazolidin-3-one |
| MolecularFormula | C20H21N5O4S |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2S(N2CCOCC2)(=O)=O)NN1c1ccccc1 |
| InChI | InChI=1S/C20H21N5O4S/c1-15-19(20(26)25(23-15)17-5-3-2-4-6-17)22-21-16-7-9-18(10-8-16)30(27,28)24-11-13-29-14-12-24/h2-10,21,23H,1,11-14H2 |
| InChIK | DJGLWRHSTOYRKB-UHFFFAOYSA-N |
| TotalMolweight | 427.484 |
| Molweight | 427.484 |
| MonoisotopicMass | 427.131425 |
| CLogP | 2.2249 |
| CLogS | -2.228 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 306.63 |
| Relative PSA | 0.30379 |
| PolarSurfaceArea | 111.72 |
| Druglikeness | 3.2634 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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