N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
Formula:C18H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C18H16N4OS |
| Smiles | O=C(C1CC1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C18H16N4OS/c23-18(13-8-9-13)20-19-11-14-12-22(15-5-2-1-3-6-15)21-17(14)16-7-4-10-24-16/h1-7,10-13H,8-9H2,(H,20,23) |
| InChIK | PIEZXQPMPFNLGT-UHFFFAOYSA-N |
| TotalMolweight | 336.418 |
| Molweight | 336.418 |
| MonoisotopicMass | 336.104481 |
| CLogP | 3.0184 |
| CLogS | -4.501 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 257.17 |
| Relative PSA | 0.28856 |
| PolarSurfaceArea | 87.52 |
| Druglikeness | 8.1968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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