(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C30H21N5O2S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-(furan-2-yl)-[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-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C30H21N5O2S |
| Smiles | O=C1n2nc(-c3ccco3)nc2S/C1=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C30H21N5O2S/c36-29-27(38-30-31-28(33-35(29)30)26-12-7-17-37-26)18-20-13-15-23(16-14-20)34-25(22-10-5-2-6-11-22)19-24(32-34)21-8-3-1-4-9-21/h1-18,25H,19H2/t25-/m0/s1 |
| InChIK | JGOXUMHYRWBBOW-VWLOTQADSA-N |
| TotalMolweight | 515.596 |
| Molweight | 515.596 |
| MonoisotopicMass | 515.141595 |
| CLogP | 6.0435 |
| CLogS | -7.833 |
| H Acceptors | 7 |
| TotalSurfaceArea | 381.19 |
| Relative PSA | 0.23219 |
| PolarSurfaceArea | 101.82 |
| Druglikeness | 4.5734 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-(furan-2-yl)-[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-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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