(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C32H23N5OS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.
| MolName | (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C32H23N5OS |
| Smiles | O=C1n2nc(-c3ccccc3)nc2S/C1=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C32H23N5OS/c38-31-29(39-32-33-30(35-37(31)32)25-14-8-3-9-15-25)20-22-16-18-26(19-17-22)36-28(24-12-6-2-7-13-24)21-27(34-36)23-10-4-1-5-11-23/h1-20,28H,21H2/t28-/m0/s1 |
| InChIK | PCXPEIMSGKZPJK-NDEPHWFRSA-N |
| TotalMolweight | 525.635 |
| Molweight | 525.635 |
| MonoisotopicMass | 525.16233 |
| CLogP | 6.8178 |
| CLogS | -8.483 |
| H Acceptors | 6 |
| TotalSurfaceArea | 391.5 |
| Relative PSA | 0.19004 |
| PolarSurfaceArea | 88.68 |
| Druglikeness | 4.8557 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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