(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C25H15N3OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.
| MolName | (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C25H15N3OS |
| Smiles | O=C1n2nc(-c3ccccc3)nc2S/C1=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C25H15N3OS/c29-24-22(30-25-26-23(27-28(24)25)16-8-2-1-3-9-16)15-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-15H |
| InChIK | FCKUYTVOQQPKFA-UHFFFAOYSA-N |
| TotalMolweight | 405.48 |
| Molweight | 405.48 |
| MonoisotopicMass | 405.093582 |
| CLogP | 5.7442 |
| CLogS | -8.762 |
| H Acceptors | 4 |
| TotalSurfaceArea | 295.15 |
| Relative PSA | 0.20105 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 4.4159 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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