| MolName | 4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-(furan-2-ylmethyl)benzamide |
| MolecularFormula | C28H21N2O4Cl |
| Smiles | O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cc3)ccc3Cl)C2=O)cc1)NCc1ccco1 |
| InChI | InChI=1S/C28H21ClN2O4/c29-22-13-9-20(10-14-22)18-31-24-5-1-2-6-25(24)35-26(28(31)33)16-19-7-11-21(12-8-19)27(32)30-17-23-4-3-15-34-23/h1-16H,17-18H2,(H,30,32) |
| InChIK | NSNRWDKDZJQGBE-UHFFFAOYSA-N |
| TotalMolweight | 484.938 |
| Molweight | 484.938 |
| MonoisotopicMass | 484.118985 |
| CLogP | 4.9339 |
| CLogS | -6.845 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 363.64 |
| Relative PSA | 0.1793 |
| PolarSurfaceArea | 71.78 |
| Druglikeness | 3.7838 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-(furan-2-ylmethyl)benzamide | 2 - 4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-(furan-2-ylmethyl)benzamide