N-[(Z)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]benzamide
Formula:C29H22N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]benzamide |
| MolecularFormula | C29H22N4O |
| Smiles | O=C(c1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C29H22N4O/c34-29(25-12-6-2-7-13-25)31-30-20-26-21-33(27-14-8-3-9-15-27)32-28(26)24-18-16-23(17-19-24)22-10-4-1-5-11-22/h1-21H,(H,31,34) |
| InChIK | TXLCEOBFTSRODV-UHFFFAOYSA-N |
| TotalMolweight | 442.521 |
| Molweight | 442.521 |
| MonoisotopicMass | 442.179361 |
| CLogP | 5.7798 |
| CLogS | -7.32 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 354.23 |
| Relative PSA | 0.15202 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.9121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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