N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C14H11N4O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C14H11N4O2F5 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C14H11F5N4O2/c15-13(16)25-10-4-2-1-3-9(10)7-20-21-12(24)8-23-6-5-11(22-23)14(17,18)19/h1-7,13H,8H2,(H,21,24) |
| InChIK | VLFNVLHBXOXAID-UHFFFAOYSA-N |
| TotalMolweight | 362.257 |
| Molweight | 362.257 |
| MonoisotopicMass | 362.080216 |
| CLogP | 1.8302 |
| CLogS | -3.379 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 253.37 |
| Relative PSA | 0.252 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -5.2869 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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