N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
Formula:C27H19N3O3ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide |
| MolecularFormula | C27H19N3O3ClF3 |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OCc1ccccc1)=O)Nc(cc1)cc(C(F)(F)F)c1Cl |
| InChI | InChI=1S/C27H19ClF3N3O3/c28-23-12-11-19(14-22(23)27(29,30)31)33-25(35)26(36)34-32-15-21-20-9-5-4-8-18(20)10-13-24(21)37-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,33,35)(H,34,36) |
| InChIK | NVWFRMVZKISKEA-UHFFFAOYSA-N |
| TotalMolweight | 525.913 |
| Molweight | 525.913 |
| MonoisotopicMass | 525.106703 |
| CLogP | 6.1407 |
| CLogS | -7.986 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 379.2 |
| Relative PSA | 0.18594 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -3.7751 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide | 2 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
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