(5E)-5-benzylidene-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C17H11N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5E)-5-benzylidene-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.
| MolName | (5E)-5-benzylidene-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C17H11N3OS |
| Smiles | O=C1n2nc(-c3ccccc3)nc2S/C1=C/c1ccccc1 |
| InChI | InChI=1S/C17H11N3OS/c21-16-14(11-12-7-3-1-4-8-12)22-17-18-15(19-20(16)17)13-9-5-2-6-10-13/h1-11H |
| InChIK | VEBNZNYQRULYBZ-UHFFFAOYSA-N |
| TotalMolweight | 305.36 |
| Molweight | 305.36 |
| MonoisotopicMass | 305.062282 |
| CLogP | 3.3554 |
| CLogS | -5.55 |
| H Acceptors | 4 |
| TotalSurfaceArea | 225.95 |
| Relative PSA | 0.26262 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 4.4159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (5E)-5-benzylidene-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5E)-5-benzylidene-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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