N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
Formula:C25H20N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide |
| MolecularFormula | C25H20N2O5 |
| Smiles | O=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C25H20N2O5/c28-24(27-26-14-19-16-32-23-9-5-4-8-22(23)25(19)29)17-31-21-12-10-20(11-13-21)30-15-18-6-2-1-3-7-18/h1-14,16H,15,17H2,(H,27,28) |
| InChIK | CWPYHCXAFCLGRX-UHFFFAOYSA-N |
| TotalMolweight | 428.443 |
| Molweight | 428.443 |
| MonoisotopicMass | 428.137223 |
| CLogP | 3.242 |
| CLogS | -5.392 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 333.23 |
| Relative PSA | 0.23722 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 4.8801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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