(2Z)-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Formula:C27H16N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[3-(3-nitrophenyl)-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-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione |
| MolecularFormula | C27H16N6O4S |
| Smiles | [O-][N+](c1cccc(-c(c(/C=C(/C(N2N=C3c4ccccc4)=O)\SC2=NC3=O)c2)nn2-c2ccccc2)c1)=O |
| InChI | InChI=1S/C27H16N6O4S/c34-25-24(17-8-3-1-4-9-17)30-32-26(35)22(38-27(32)28-25)15-19-16-31(20-11-5-2-6-12-20)29-23(19)18-10-7-13-21(14-18)33(36)37/h1-16H |
| InChIK | MQZTVJZRTBAKAQ-UHFFFAOYSA-N |
| TotalMolweight | 520.528 |
| Molweight | 520.528 |
| MonoisotopicMass | 520.095374 |
| CLogP | 2.4963 |
| CLogS | -6.961 |
| H Acceptors | 10 |
| TotalSurfaceArea | 371.11 |
| Relative PSA | 0.31904 |
| PolarSurfaceArea | 151.04 |
| Druglikeness | 0.84144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione | 2 - (2Z)-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
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