1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]piperidine-4-carboxamide
Formula:C25H24N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C25H24N3O4ClS |
| Smiles | O=C(C(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C25H24ClN3O4S/c26-21-8-12-24(13-9-21)34(31,32)29-16-14-20(15-17-29)25(30)28-27-18-19-6-10-23(11-7-19)33-22-4-2-1-3-5-22/h1-13,18,20H,14-17H2,(H,28,30) |
| InChIK | NAZZRNWSIXRQGM-UHFFFAOYSA-N |
| TotalMolweight | 498.002 |
| Molweight | 498.002 |
| MonoisotopicMass | 497.117604 |
| CLogP | 4.9179 |
| CLogS | -6.471 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 365.09 |
| Relative PSA | 0.21403 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 7.4137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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1 - 1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]piperidine-4-carboxamide | 2 - 1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]piperidine-4-carboxamide
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