(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-benzyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C19H13N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-benzyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-benzyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C19H13N3O3S |
| Smiles | O=C(/C(/S1)=C/c(cc2)cc3c2OCO3)n2c1nnc2Cc1ccccc1 |
| InChI | InChI=1S/C19H13N3O3S/c23-18-16(9-13-6-7-14-15(8-13)25-11-24-14)26-19-21-20-17(22(18)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChIK | SMKFKRCSRCEISJ-UHFFFAOYSA-N |
| TotalMolweight | 363.396 |
| Molweight | 363.396 |
| MonoisotopicMass | 363.067762 |
| CLogP | 3.4933 |
| CLogS | -4.58 |
| H Acceptors | 6 |
| TotalSurfaceArea | 259.97 |
| Relative PSA | 0.30519 |
| PolarSurfaceArea | 91.54 |
| Druglikeness | 4.226 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-benzyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-3-benzyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
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