N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C25H20N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C25H20N5OF3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H20F3N5O/c26-25(27,28)23-15-16-32(31-23)18-24(34)30-29-17-19-11-13-22(14-12-19)33(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17H,18H2,(H,30,34) |
| InChIK | MXPNKVROEJMNGR-UHFFFAOYSA-N |
| TotalMolweight | 463.462 |
| Molweight | 463.462 |
| MonoisotopicMass | 463.161994 |
| CLogP | 4.2552 |
| CLogS | -6.933 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 347.99 |
| Relative PSA | 0.16495 |
| PolarSurfaceArea | 62.52 |
| Druglikeness | -5.1365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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