N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
Formula:C18H15N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide |
| MolecularFormula | C18H15N3O4S |
| Smiles | O=C(CN1c(cccc2)c2SCC1=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H15N3O4S/c22-17(9-21-13-3-1-2-4-16(13)26-10-18(21)23)20-19-8-12-5-6-14-15(7-12)25-11-24-14/h1-8H,9-11H2,(H,20,22) |
| InChIK | LEIATXCKNRFPHG-UHFFFAOYSA-N |
| TotalMolweight | 369.4 |
| Molweight | 369.4 |
| MonoisotopicMass | 369.078327 |
| CLogP | 1.8002 |
| CLogS | -5.138 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 266.81 |
| Relative PSA | 0.33766 |
| PolarSurfaceArea | 105.53 |
| Druglikeness | 6.6677 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
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