N-benzyl-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Formula:C23H18N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide is a drug-like molecule.
| MolName | N-benzyl-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide |
| MolecularFormula | C23H18N2O2S |
| Smiles | O=C(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)NCc1ccccc1 |
| InChI | InChI=1S/C23H18N2O2S/c26-22(24-15-17-6-2-1-3-7-17)18-12-10-16(11-13-18)14-21-23(27)25-19-8-4-5-9-20(19)28-21/h1-14H,15H2,(H,24,26)(H,25,27) |
| InChIK | XAHLQWGOOQBRSH-UHFFFAOYSA-N |
| TotalMolweight | 386.474 |
| Molweight | 386.474 |
| MonoisotopicMass | 386.108898 |
| CLogP | 3.1139 |
| CLogS | -5.742 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 293.66 |
| Relative PSA | 0.22642 |
| PolarSurfaceArea | 83.5 |
| Druglikeness | 3.1404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-benzyl-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide | 2 - N-benzyl-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide
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