2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C16H14N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C16H14N4O2S |
| Smiles | O=C(CN1c(cccc2)c2SCC1=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H14N4O2S/c21-15(19-18-9-12-4-3-7-17-8-12)10-20-13-5-1-2-6-14(13)23-11-16(20)22/h1-9H,10-11H2,(H,19,21) |
| InChIK | ZKEBGOJLRYQTFF-UHFFFAOYSA-N |
| TotalMolweight | 326.379 |
| Molweight | 326.379 |
| MonoisotopicMass | 326.083746 |
| CLogP | 0.6879 |
| CLogS | -3.632 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 245.31 |
| Relative PSA | 0.33044 |
| PolarSurfaceArea | 99.96 |
| Druglikeness | 6.7983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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