N-cyclohexyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide
Formula:C17H20N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-cyclohexyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide |
| MolecularFormula | C17H20N3O2F3 |
| Smiles | O=C(CC(N/N=C\c1c(C(F)(F)F)cccc1)=O)NC1CCCCC1 |
| InChI | InChI=1S/C17H20F3N3O2/c18-17(19,20)14-9-5-4-6-12(14)11-21-23-16(25)10-15(24)22-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,22,24)(H,23,25) |
| InChIK | QKCXOTMRXQPEBW-UHFFFAOYSA-N |
| TotalMolweight | 355.359 |
| Molweight | 355.359 |
| MonoisotopicMass | 355.150761 |
| CLogP | 3.2936 |
| CLogS | -4.64 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.46 |
| Relative PSA | 0.22624 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -9.4427 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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