N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C25H19N3OF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C25H19N3OF4 |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c1cn(Cc(cc2)ccc2F)c2c1cccc2 |
| InChI | InChI=1S/C25H19F4N3O/c26-21-10-8-17(9-11-21)15-32-16-19(22-6-1-2-7-23(22)32)14-30-31-24(33)13-18-4-3-5-20(12-18)25(27,28)29/h1-12,14,16H,13,15H2,(H,31,33) |
| InChIK | MKJCSACSXXONNI-UHFFFAOYSA-N |
| TotalMolweight | 453.438 |
| Molweight | 453.438 |
| MonoisotopicMass | 453.146424 |
| CLogP | 5.6785 |
| CLogS | -5.756 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 333.88 |
| Relative PSA | 0.12843 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | -1.1104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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