N-[(Z)-(4-phenylphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C25H25N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-phenylphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C25H25N3O3S |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C25H25N3O3S/c29-25(23-10-7-11-24(18-23)32(30,31)28-16-5-2-6-17-28)27-26-19-20-12-14-22(15-13-20)21-8-3-1-4-9-21/h1,3-4,7-15,18-19H,2,5-6,16-17H2,(H,27,29) |
| InChIK | PCYNSMBXVUCTPB-UHFFFAOYSA-N |
| TotalMolweight | 447.558 |
| Molweight | 447.558 |
| MonoisotopicMass | 447.161662 |
| CLogP | 5.0676 |
| CLogS | -5.902 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 340.93 |
| Relative PSA | 0.19987 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -0.88241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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