N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C19H19N3O3F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H19N3O3F2S |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C19H19F2N3O3S/c20-16-8-7-15(18(21)12-16)13-22-23-19(25)14-5-4-6-17(11-14)28(26,27)24-9-2-1-3-10-24/h4-8,11-13H,1-3,9-10H2,(H,23,25) |
| InChIK | ZJMOSUAQJMDVDW-UHFFFAOYSA-N |
| TotalMolweight | 407.44 |
| Molweight | 407.44 |
| MonoisotopicMass | 407.111518 |
| CLogP | 3.61 |
| CLogS | -4.444 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.87 |
| Relative PSA | 0.23187 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -2.1641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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