2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C15H13N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C15H13N3O2S2 |
| Smiles | O=C(CN1c(cccc2)c2SCC1=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H13N3O2S2/c19-14(17-16-8-11-4-3-7-21-11)9-18-12-5-1-2-6-13(12)22-10-15(18)20/h1-8H,9-10H2,(H,17,19) |
| InChIK | CYAYTNBWOTUXOX-UHFFFAOYSA-N |
| TotalMolweight | 331.419 |
| Molweight | 331.419 |
| MonoisotopicMass | 331.044917 |
| CLogP | 1.5554 |
| CLogS | -4.437 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.49 |
| Relative PSA | 0.37301 |
| PolarSurfaceArea | 115.31 |
| Druglikeness | 7.9748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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