N-[(E)-(4-bromophenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide
Formula:C19H20N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-bromophenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(E)-(4-bromophenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H20N3O3BrS |
| Smiles | O=C(c(cc1)ccc1S(N1CCCCC1)(=O)=O)N/N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C19H20BrN3O3S/c20-17-8-4-15(5-9-17)14-21-22-19(24)16-6-10-18(11-7-16)27(25,26)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2,(H,22,24) |
| InChIK | WBRNOIBUUZJVGK-UHFFFAOYSA-N |
| TotalMolweight | 450.356 |
| Molweight | 450.356 |
| MonoisotopicMass | 449.040873 |
| CLogP | 4.1336 |
| CLogS | -4.65 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.8 |
| Relative PSA | 0.22728 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 2.5716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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