N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
Formula:C25H19N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide |
| MolecularFormula | C25H19N3O4Cl2 |
| Smiles | O=C(CNC(COc1cc2ccccc2cc1)=O)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C25H19Cl2N3O4/c26-21-9-6-18(12-22(21)27)23-10-8-20(34-23)13-29-30-24(31)14-28-25(32)15-33-19-7-5-16-3-1-2-4-17(16)11-19/h1-13H,14-15H2,(H,28,32)(H,30,31) |
| InChIK | CUUDMJYKGDEBLV-UHFFFAOYSA-N |
| TotalMolweight | 496.349 |
| Molweight | 496.349 |
| MonoisotopicMass | 495.075261 |
| CLogP | 5.2055 |
| CLogS | -7.806 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 368.61 |
| Relative PSA | 0.22957 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | 7.3311 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide | 2 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
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