N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C26H19N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C26H19N4OF3 |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=N\NC(Cc3cccc(C(F)(F)F)c3)=O)c2)cccc1 |
| InChI | InChI=1S/C26H19F3N4O/c27-26(28,29)22-9-5-6-18(12-22)13-25(34)32-31-15-21-17-33(24-11-4-3-10-23(21)24)16-20-8-2-1-7-19(20)14-30/h1-12,15,17H,13,16H2,(H,32,34) |
| InChIK | LBWMDYGDGZYQJU-UHFFFAOYSA-N |
| TotalMolweight | 460.458 |
| Molweight | 460.458 |
| MonoisotopicMass | 460.151095 |
| CLogP | 5.4133 |
| CLogS | -6.215 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.24 |
| Relative PSA | 0.16161 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | -5.3904 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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