(5Z)-2-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C33H25N5OS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-2-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.
| MolName | (5Z)-2-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C33H25N5OS |
| Smiles | O=C1n2nc(Cc3ccccc3)nc2S/C1=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C33H25N5OS/c39-32-30(40-33-34-31(36-38(32)33)21-23-10-4-1-5-11-23)20-24-16-18-27(19-17-24)37-29(26-14-8-3-9-15-26)22-28(35-37)25-12-6-2-7-13-25/h1-20,29H,21-22H2/t29-/m0/s1 |
| InChIK | HOVHJMHUTAIZIM-LJAQVGFWSA-N |
| TotalMolweight | 539.662 |
| Molweight | 539.662 |
| MonoisotopicMass | 539.17798 |
| CLogP | 6.8802 |
| CLogS | -7.333 |
| H Acceptors | 6 |
| TotalSurfaceArea | 405.26 |
| Relative PSA | 0.18359 |
| PolarSurfaceArea | 88.68 |
| Druglikeness | 4.8557 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-2-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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