N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
Formula:C19H14N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C19H14N4OS2 |
| Smiles | O=C(c1cccs1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C19H14N4OS2/c24-19(17-9-5-11-26-17)21-20-12-14-13-23(15-6-2-1-3-7-15)22-18(14)16-8-4-10-25-16/h1-13H,(H,21,24) |
| InChIK | SZJOTVUJFHSVOB-UHFFFAOYSA-N |
| TotalMolweight | 378.479 |
| Molweight | 378.479 |
| MonoisotopicMass | 378.060901 |
| CLogP | 4.0107 |
| CLogS | -5.165 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.35 |
| Relative PSA | 0.33026 |
| PolarSurfaceArea | 115.76 |
| Druglikeness | 7.412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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