1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide
Formula:C25H20N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide is not a drug-like molecule.
| MolName | 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C25H20N4O2Cl2 |
| Smiles | O=C(c1nn(Cc(ccc(Cl)c2)c2Cl)cc1)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C25H20Cl2N4O2/c26-21-11-10-20(22(27)14-21)16-31-13-12-23(30-31)25(32)29-28-15-19-8-4-5-9-24(19)33-17-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,29,32) |
| InChIK | LBSURSSKTAUJNG-UHFFFAOYSA-N |
| TotalMolweight | 479.366 |
| Molweight | 479.366 |
| MonoisotopicMass | 478.09633 |
| CLogP | 5.2355 |
| CLogS | -6.115 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 362.83 |
| Relative PSA | 0.17598 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 6.8871 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide | 2 - 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide
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