N'-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]oxamide
Formula:C16H13N5O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]oxamide |
| MolecularFormula | C16H13N5O2S |
| Smiles | NC(C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)=O)=O |
| InChI | InChI=1S/C16H13N5O2S/c17-15(22)16(23)19-18-9-11-10-21(12-5-2-1-3-6-12)20-14(11)13-7-4-8-24-13/h1-10H,(H2,17,22)(H,19,23) |
| InChIK | OXWPJJPFADHPPA-UHFFFAOYSA-N |
| TotalMolweight | 339.378 |
| Molweight | 339.378 |
| MonoisotopicMass | 339.078995 |
| CLogP | 1.0262 |
| CLogS | -3.536 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 256.92 |
| Relative PSA | 0.39903 |
| PolarSurfaceArea | 130.61 |
| Druglikeness | 4.9623 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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