N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
Formula:C36H30N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide |
| MolecularFormula | C36H30N4O2 |
| Smiles | O=C(c1ccc(COc(cccc2)c2-c2ccccc2)cc1)N/N=C\c(cc1)ccc1N(CC1)N=C1c1ccccc1 |
| InChI | InChI=1S/C36H30N4O2/c41-36(31-19-15-28(16-20-31)26-42-35-14-8-7-13-33(35)29-9-3-1-4-10-29)38-37-25-27-17-21-32(22-18-27)40-24-23-34(39-40)30-11-5-2-6-12-30/h1-22,25H,23-24,26H2,(H,38,41) |
| InChIK | MCGFHXVZUOXSBK-UHFFFAOYSA-N |
| TotalMolweight | 550.66 |
| Molweight | 550.66 |
| MonoisotopicMass | 550.236876 |
| CLogP | 8.1551 |
| CLogS | -8.987 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 437.32 |
| Relative PSA | 0.13965 |
| PolarSurfaceArea | 66.29 |
| Druglikeness | 6.0955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide | 2 - N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
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