N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide
Formula:C19H15N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide |
| MolecularFormula | C19H15N5O4S |
| Smiles | O=C(CN(C1=O)N=C2N1c(cccc1)c1SC2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H15N5O4S/c25-18(21-20-8-12-5-6-14-15(7-12)28-11-27-14)9-23-19(26)24-13-3-1-2-4-16(13)29-10-17(24)22-23/h1-8H,9-11H2,(H,21,25) |
| InChIK | ATVKLECYCUYLNX-UHFFFAOYSA-N |
| TotalMolweight | 409.425 |
| Molweight | 409.425 |
| MonoisotopicMass | 409.084475 |
| CLogP | 1.7916 |
| CLogS | -5.784 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 286.58 |
| Relative PSA | 0.36691 |
| PolarSurfaceArea | 121.13 |
| Druglikeness | 7.0491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide
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