(4E)-2-(3-chlorophenyl)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one
Formula:C20H20N5O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(3-chlorophenyl)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-2-(3-chlorophenyl)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one |
| MolecularFormula | C20H20N5O4ClS |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2S(N2CCOCC2)(=O)=O)NN1c1cccc(Cl)c1 |
| InChI | InChI=1S/C20H20ClN5O4S/c1-14-19(20(27)26(24-14)17-4-2-3-15(21)13-17)23-22-16-5-7-18(8-6-16)31(28,29)25-9-11-30-12-10-25/h2-8,13,22,24H,1,9-12H2 |
| InChIK | YJHLEBVIDPALNA-UHFFFAOYSA-N |
| TotalMolweight | 461.929 |
| Molweight | 461.929 |
| MonoisotopicMass | 461.092452 |
| CLogP | 2.8309 |
| CLogS | -2.964 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 322.05 |
| Relative PSA | 0.28924 |
| PolarSurfaceArea | 111.72 |
| Druglikeness | 2.9209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (4E)-2-(3-chlorophenyl)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one | 2 - (4E)-2-(3-chlorophenyl)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one
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