N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide
Formula:C24H18N2O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide is a drug-like molecule.
| MolName | N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide |
| MolecularFormula | C24H18N2O3F2 |
| Smiles | O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2F)C1=O)NCc(cc1)ccc1F |
| InChI | InChI=1S/C24H18F2N2O3/c25-18-11-9-16(10-12-18)14-27-23(29)15-28-20-7-3-4-8-21(20)31-22(24(28)30)13-17-5-1-2-6-19(17)26/h1-13H,14-15H2,(H,27,29) |
| InChIK | PCJZFCMXZUTPDZ-UHFFFAOYSA-N |
| TotalMolweight | 420.414 |
| Molweight | 420.414 |
| MonoisotopicMass | 420.128549 |
| CLogP | 3.5676 |
| CLogS | -5.494 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 311.47 |
| Relative PSA | 0.16403 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 2.9589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide | 2 - N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide
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