N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
Formula:C17H14N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide |
| MolecularFormula | C17H14N3O2ClS |
| Smiles | O=C(CN1c(cccc2)c2SCC1=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H14ClN3O2S/c18-13-7-5-12(6-8-13)9-19-20-16(22)10-21-14-3-1-2-4-15(14)24-11-17(21)23/h1-9H,10-11H2,(H,20,22) |
| InChIK | OFBCGTGIMZLLPH-UHFFFAOYSA-N |
| TotalMolweight | 359.836 |
| Molweight | 359.836 |
| MonoisotopicMass | 359.049524 |
| CLogP | 2.2948 |
| CLogS | -5.163 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.97 |
| Relative PSA | 0.26755 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 6.8192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
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