N-[(Z)-(3-benzoyl-1-phenylpyrazol-4-yl)methylideneamino]-4-chlorobenzamide
Formula:C24H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-benzoyl-1-phenylpyrazol-4-yl)methylideneamino]-4-chlorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-benzoyl-1-phenylpyrazol-4-yl)methylideneamino]-4-chlorobenzamide |
| MolecularFormula | C24H17N4O2Cl |
| Smiles | O=C(c(c(/C=N\NC(c(cc1)ccc1Cl)=O)c1)nn1-c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C24H17ClN4O2/c25-20-13-11-18(12-14-20)24(31)27-26-15-19-16-29(21-9-5-2-6-10-21)28-22(19)23(30)17-7-3-1-4-8-17/h1-16H,(H,27,31) |
| InChIK | VNMRCANVZNVHBP-UHFFFAOYSA-N |
| TotalMolweight | 428.878 |
| Molweight | 428.878 |
| MonoisotopicMass | 428.104003 |
| CLogP | 4.1604 |
| CLogS | -6.316 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 327.64 |
| Relative PSA | 0.20416 |
| PolarSurfaceArea | 76.35 |
| Druglikeness | 6.4281 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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