N-[(Z)-benzylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C19H21N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H21N3O3S |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C19H21N3O3S/c23-19(21-20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)26(24,25)22-12-5-2-6-13-22/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,21,23) |
| InChIK | UMSDXWAKVITYNM-UHFFFAOYSA-N |
| TotalMolweight | 371.46 |
| Molweight | 371.46 |
| MonoisotopicMass | 371.130362 |
| CLogP | 3.4084 |
| CLogS | -3.816 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.17 |
| Relative PSA | 0.24234 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -0.85639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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