(2Z)-N-cyclopropyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
Formula:C13H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-N-cyclopropyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide is a drug-like molecule.
| MolName | (2Z)-N-cyclopropyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide |
| MolecularFormula | C13H12N2O2S |
| Smiles | O=C(/C=C1\Sc(cccc2)c2NC1=O)NC1CC1 |
| InChI | InChI=1S/C13H12N2O2S/c16-12(14-8-5-6-8)7-11-13(17)15-9-3-1-2-4-10(9)18-11/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17) |
| InChIK | TZGQFANKKYIWDK-UHFFFAOYSA-N |
| TotalMolweight | 260.316 |
| Molweight | 260.316 |
| MonoisotopicMass | 260.061948 |
| CLogP | 0.3477 |
| CLogS | -3.417 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 186.9 |
| Relative PSA | 0.35575 |
| PolarSurfaceArea | 83.5 |
| Druglikeness | 2.3209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - (2Z)-N-cyclopropyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide | 2 - (2Z)-N-cyclopropyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
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