N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
Formula:C29H28N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide |
| MolecularFormula | C29H28N3O3Cl |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\C(CC/C1=C\c(cc2)ccc2Cl)=C1N1CCOCC1 |
| InChI | InChI=1S/C29H28ClN3O3/c30-26-10-5-21(6-11-26)17-24-7-8-25(29(24)33-13-15-35-16-14-33)19-31-32-28(34)20-36-27-12-9-22-3-1-2-4-23(22)18-27/h1-6,9-12,17-19H,7-8,13-16,20H2,(H,32,34) |
| InChIK | PIHUBEQJKMIPAB-UHFFFAOYSA-N |
| TotalMolweight | 502.012 |
| Molweight | 502.012 |
| MonoisotopicMass | 501.181919 |
| CLogP | 5.1564 |
| CLogS | -6.409 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 384.26 |
| Relative PSA | 0.155 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 4.8377 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide | 2 - N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
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