N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C25H24N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C25H24N3O2F |
| Smiles | OC(C(N/N=C\c(cc1)cc(F)c1N1CCCC1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H24FN3O2/c26-22-17-19(13-14-23(22)29-15-7-8-16-29)18-27-28-24(30)25(31,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-14,17-18,31H,7-8,15-16H2,(H,28,30) |
| InChIK | ZCSPNDMQKSFJCO-UHFFFAOYSA-N |
| TotalMolweight | 417.483 |
| Molweight | 417.483 |
| MonoisotopicMass | 417.185255 |
| CLogP | 4.0737 |
| CLogS | -5.463 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 321.7 |
| Relative PSA | 0.16369 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 5.3797 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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