N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C25H17N6O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C25H17N6O3F3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1cn(-c2ccccc2)nc1C1=Cc(cccc2)c2OC1=O |
| InChI | InChI=1S/C25H17F3N6O3/c26-25(27,28)21-10-11-33(31-21)15-22(35)30-29-13-17-14-34(18-7-2-1-3-8-18)32-23(17)19-12-16-6-4-5-9-20(16)37-24(19)36/h1-14H,15H2,(H,30,35) |
| InChIK | PNSFOKKFGFODJK-UHFFFAOYSA-N |
| TotalMolweight | 506.443 |
| Molweight | 506.443 |
| MonoisotopicMass | 506.131423 |
| CLogP | 1.9766 |
| CLogS | -4.227 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 364.61 |
| Relative PSA | 0.25981 |
| PolarSurfaceArea | 103.4 |
| Druglikeness | -5.0192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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