N-(2-phenylethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide
Formula:C19H18N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-phenylethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-(2-phenylethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide |
| MolecularFormula | C19H18N3O2F3 |
| Smiles | O=C(CC(N/N=C\c1c(C(F)(F)F)cccc1)=O)NCCc1ccccc1 |
| InChI | InChI=1S/C19H18F3N3O2/c20-19(21,22)16-9-5-4-8-15(16)13-24-25-18(27)12-17(26)23-11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,23,26)(H,25,27) |
| InChIK | SLXRLSUMOJBSGE-UHFFFAOYSA-N |
| TotalMolweight | 377.365 |
| Molweight | 377.365 |
| MonoisotopicMass | 377.135111 |
| CLogP | 3.5861 |
| CLogS | -4.501 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 286.94 |
| Relative PSA | 0.21088 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -4.6855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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