2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-nitrophenoxy]-N-(3-fluorophenyl)acetamide
Formula:C24H17N4O6F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-nitrophenoxy]-N-(3-fluorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-nitrophenoxy]-N-(3-fluorophenyl)acetamide |
| MolecularFormula | C24H17N4O6F |
| Smiles | [O-][N+](c(cc(/C=C(/C(NN1c2ccccc2)=O)\C1=O)cc1)c1OCC(Nc1cccc(F)c1)=O)=O |
| InChI | InChI=1S/C24H17FN4O6/c25-16-5-4-6-17(13-16)26-22(30)14-35-21-10-9-15(12-20(21)29(33)34)11-19-23(31)27-28(24(19)32)18-7-2-1-3-8-18/h1-13H,14H2,(H,26,30)(H,27,31) |
| InChIK | PIONOLQCXXTXEN-UHFFFAOYSA-N |
| TotalMolweight | 476.419 |
| Molweight | 476.419 |
| MonoisotopicMass | 476.113214 |
| CLogP | 1.2452 |
| CLogS | -4.956 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 344.24 |
| Relative PSA | 0.30795 |
| PolarSurfaceArea | 133.56 |
| Druglikeness | -1.91 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-nitrophenoxy]-N-(3-fluorophenyl)acetamide | 2 - 2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-nitrophenoxy]-N-(3-fluorophenyl)acetamide
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