N-[(Z)-(3-benzoyl-1-phenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
Formula:C21H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-benzoyl-1-phenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-benzoyl-1-phenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C21H18N4O2 |
| Smiles | O=C(C1CC1)N/N=C\c1cn(-c2ccccc2)nc1C(c1ccccc1)=O |
| InChI | InChI=1S/C21H18N4O2/c26-20(15-7-3-1-4-8-15)19-17(13-22-23-21(27)16-11-12-16)14-25(24-19)18-9-5-2-6-10-18/h1-10,13-14,16H,11-12H2,(H,23,27) |
| InChIK | TUXRZEONUOHIMJ-UHFFFAOYSA-N |
| TotalMolweight | 358.4 |
| Molweight | 358.4 |
| MonoisotopicMass | 358.142976 |
| CLogP | 2.4287 |
| CLogS | -4.926 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.98 |
| Relative PSA | 0.23977 |
| PolarSurfaceArea | 76.35 |
| Druglikeness | 7.2707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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