N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
Formula:C34H24N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-diphenylpyrazole-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-diphenylpyrazole-4-carboxamide |
| MolecularFormula | C34H24N6O2 |
| Smiles | O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C34H24N6O2/c41-34(29-23-40(28-17-8-3-9-18-28)37-32(29)24-12-4-1-5-13-24)36-35-21-26-22-39(27-15-6-2-7-16-27)38-33(26)31-20-25-14-10-11-19-30(25)42-31/h1-23H,(H,36,41) |
| InChIK | VXFMDLNXLPXAOI-UHFFFAOYSA-N |
| TotalMolweight | 548.605 |
| Molweight | 548.605 |
| MonoisotopicMass | 548.196074 |
| CLogP | 5.5822 |
| CLogS | -7.598 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 426.24 |
| Relative PSA | 0.2013 |
| PolarSurfaceArea | 90.24 |
| Druglikeness | 6.4243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 7 |
| Aromatic Atoms | 37 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-diphenylpyrazole-4-carboxamide | 2 - N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
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