N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]thiophene-2-carboxamide
Formula:C17H19N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C17H19N3OS |
| Smiles | O=C(c1cccs1)N/N=C\c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C17H19N3OS/c21-17(16-5-4-12-22-16)19-18-13-14-6-8-15(9-7-14)20-10-2-1-3-11-20/h4-9,12-13H,1-3,10-11H2,(H,19,21) |
| InChIK | UHRYAWMLDNJCNX-UHFFFAOYSA-N |
| TotalMolweight | 313.424 |
| Molweight | 313.424 |
| MonoisotopicMass | 313.124882 |
| CLogP | 3.9012 |
| CLogS | -4.723 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 248.53 |
| Relative PSA | 0.2411 |
| PolarSurfaceArea | 72.94 |
| Druglikeness | 5.8285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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