(2Z)-2-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Formula:C27H16N5O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is not a drug-like molecule.
| MolName | (2Z)-2-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione |
| MolecularFormula | C27H16N5O2BrS |
| Smiles | O=C(/C(/SC1=N2)=C/c3cn(-c4ccccc4)nc3-c(cc3)ccc3Br)N1N=C(c1ccccc1)C2=O |
| InChI | InChI=1S/C27H16BrN5O2S/c28-20-13-11-18(12-14-20)23-19(16-32(30-23)21-9-5-2-6-10-21)15-22-26(35)33-27(36-22)29-25(34)24(31-33)17-7-3-1-4-8-17/h1-16H |
| InChIK | WPYGJFHNPKUWEZ-UHFFFAOYSA-N |
| TotalMolweight | 554.427 |
| Molweight | 554.427 |
| MonoisotopicMass | 553.020806 |
| CLogP | 4.1431 |
| CLogS | -7.335 |
| H Acceptors | 7 |
| TotalSurfaceArea | 366.07 |
| Relative PSA | 0.24034 |
| PolarSurfaceArea | 105.22 |
| Druglikeness | 4.125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione | 2 - (2Z)-2-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
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