1-(4-chlorophenyl)sulfonyl-N-[(Z)-3-phenylpropylideneamino]piperidine-4-carboxamide
Formula:C21H24N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)sulfonyl-N-[(Z)-3-phenylpropylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)sulfonyl-N-[(Z)-3-phenylpropylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C21H24N3O3ClS |
| Smiles | O=C(C(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)N/N=C\CCc1ccccc1 |
| InChI | InChI=1S/C21H24ClN3O3S/c22-19-8-10-20(11-9-19)29(27,28)25-15-12-18(13-16-25)21(26)24-23-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,14,18H,4,7,12-13,15-16H2,(H,24,26) |
| InChIK | BSPZEOHTGXEXNL-UHFFFAOYSA-N |
| TotalMolweight | 433.959 |
| Molweight | 433.959 |
| MonoisotopicMass | 433.122689 |
| CLogP | 3.6639 |
| CLogS | -4.331 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 322.85 |
| Relative PSA | 0.21106 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 7.6461 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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