2-cyano-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
Formula:C17H13N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide |
| MolecularFormula | C17H13N5OS |
| Smiles | N#CCC(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)=O |
| InChI | InChI=1S/C17H13N5OS/c18-9-8-16(23)20-19-11-13-12-22(14-5-2-1-3-6-14)21-17(13)15-7-4-10-24-15/h1-7,10-12H,8H2,(H,20,23) |
| InChIK | KWOXGVOPHNMJTM-UHFFFAOYSA-N |
| TotalMolweight | 335.39 |
| Molweight | 335.39 |
| MonoisotopicMass | 335.08408 |
| CLogP | 2.4003 |
| CLogS | -4.403 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.12 |
| Relative PSA | 0.32981 |
| PolarSurfaceArea | 111.31 |
| Druglikeness | -0.034019 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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