2-hydroxy-2,2-diphenyl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
Formula:C25H25N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-2,2-diphenyl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-hydroxy-2,2-diphenyl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C25H25N3O2 |
| Smiles | OC(C(N/N=C\c(cc1)ccc1N1CCCC1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H25N3O2/c29-24(25(30,21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-26-19-20-13-15-23(16-14-20)28-17-7-8-18-28/h1-6,9-16,19,30H,7-8,17-18H2,(H,27,29) |
| InChIK | IGYVFOAQFTZLOQ-UHFFFAOYSA-N |
| TotalMolweight | 399.493 |
| Molweight | 399.493 |
| MonoisotopicMass | 399.194677 |
| CLogP | 3.9729 |
| CLogS | -5.149 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 315.35 |
| Relative PSA | 0.16699 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 6.7197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-hydroxy-2,2-diphenyl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide | 2 - 2-hydroxy-2,2-diphenyl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
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