N-[(Z)-(4-cyanophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C20H20N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C20H20N4O3S |
| Smiles | N#Cc1ccc(/C=N\NC(c2cccc(S(N3CCCCC3)(=O)=O)c2)=O)cc1 |
| InChI | InChI=1S/C20H20N4O3S/c21-14-16-7-9-17(10-8-16)15-22-23-20(25)18-5-4-6-19(13-18)28(26,27)24-11-2-1-3-12-24/h4-10,13,15H,1-3,11-12H2,(H,23,25) |
| InChIK | FWSPXUONBBLADD-UHFFFAOYSA-N |
| TotalMolweight | 396.47 |
| Molweight | 396.47 |
| MonoisotopicMass | 396.125611 |
| CLogP | 3.244 |
| CLogS | -4.589 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 302.88 |
| Relative PSA | 0.26974 |
| PolarSurfaceArea | 111.01 |
| Druglikeness | -9.273 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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