N-cyclooctyl-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide
Formula:C24H26N2O3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
N-cyclooctyl-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide is a drug-like molecule.
| MolName | N-cyclooctyl-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide |
| MolecularFormula | C24H26N2O3 |
| Smiles | O=C(c1ccc(/C=C2\Oc(cccc3)c3NC2=O)cc1)NC1CCCCCCC1 |
| InChI | InChI=1S/C24H26N2O3/c27-23(25-19-8-4-2-1-3-5-9-19)18-14-12-17(13-15-18)16-22-24(28)26-20-10-6-7-11-21(20)29-22/h6-7,10-16,19H,1-5,8-9H2,(H,25,27)(H,26,28) |
| InChIK | NAWOTHWVNLTXPO-UHFFFAOYSA-N |
| TotalMolweight | 390.481 |
| Molweight | 390.481 |
| MonoisotopicMass | 390.194343 |
| CLogP | 4.9139 |
| CLogS | -5.919 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 307.97 |
| Relative PSA | 0.19158 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -2.4944 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - N-cyclooctyl-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide | 2 - N-cyclooctyl-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide
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