N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C24H18N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C24H18N2O3Cl2 |
| Smiles | C#CCOc(c(Cl)cc(/C=N\NC(C(c1ccccc1)(c1ccccc1)O)=O)c1)c1Cl |
| InChI | InChI=1S/C24H18Cl2N2O3/c1-2-13-31-22-20(25)14-17(15-21(22)26)16-27-28-23(29)24(30,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h1,3-12,14-16,30H,13H2,(H,28,29) |
| InChIK | NEWTXOSMMOSUFO-UHFFFAOYSA-N |
| TotalMolweight | 453.324 |
| Molweight | 453.324 |
| MonoisotopicMass | 452.069447 |
| CLogP | 4.6511 |
| CLogS | -6.541 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 341.92 |
| Relative PSA | 0.17288 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 5.1967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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