(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
Formula:C22H16N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide is a drug-like molecule.
| MolName | (2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide |
| MolecularFormula | C22H16N3O2FS |
| Smiles | O=C(c(cc1)cc(NC2=O)c1S/C2=C/c(cccc1)c1F)NCc1cnccc1 |
| InChI | InChI=1S/C22H16FN3O2S/c23-17-6-2-1-5-15(17)11-20-22(28)26-18-10-16(7-8-19(18)29-20)21(27)25-13-14-4-3-9-24-12-14/h1-12H,13H2,(H,25,27)(H,26,28) |
| InChIK | GPKVNISIVQLXOF-UHFFFAOYSA-N |
| TotalMolweight | 405.452 |
| Molweight | 405.452 |
| MonoisotopicMass | 405.094725 |
| CLogP | 2.2138 |
| CLogS | -5.261 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 298.77 |
| Relative PSA | 0.25926 |
| PolarSurfaceArea | 96.39 |
| Druglikeness | 1.8004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide | 2 - (2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
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