2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
Formula:C23H18N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-3-ylmethyl)acetamide |
| MolecularFormula | C23H18N3O3Br |
| Smiles | O=C(CN(c(cccc1)c1O/C1=C\c2cccc(Br)c2)C1=O)NCc1cnccc1 |
| InChI | InChI=1S/C23H18BrN3O3/c24-18-7-3-5-16(11-18)12-21-23(29)27(19-8-1-2-9-20(19)30-21)15-22(28)26-14-17-6-4-10-25-13-17/h1-13H,14-15H2,(H,26,28) |
| InChIK | OTEYUMOFCBKGLT-UHFFFAOYSA-N |
| TotalMolweight | 464.318 |
| Molweight | 464.318 |
| MonoisotopicMass | 463.053153 |
| CLogP | 3.0903 |
| CLogS | -4.905 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 316.16 |
| Relative PSA | 0.19629 |
| PolarSurfaceArea | 71.53 |
| Druglikeness | 2.5089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-3-ylmethyl)acetamide | 2 - 2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
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