(2Z)-6-benzyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Formula:C32H26N6O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-6-benzyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is not a drug-like molecule.
| MolName | (2Z)-6-benzyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione |
| MolecularFormula | C32H26N6O5S2 |
| Smiles | O=C(/C(/SC1=N2)=C/c3cn(-c4ccccc4)nc3-c(cc3)ccc3S(N3CCOCC3)(=O)=O)N1N=C(Cc1ccccc1)C2=O |
| InChI | InChI=1S/C32H26N6O5S2/c39-30-27(19-22-7-3-1-4-8-22)34-38-31(40)28(44-32(38)33-30)20-24-21-37(25-9-5-2-6-10-25)35-29(24)23-11-13-26(14-12-23)45(41,42)36-15-17-43-18-16-36/h1-14,20-21H,15-19H2 |
| InChIK | JHELGILMQNMLKJ-UHFFFAOYSA-N |
| TotalMolweight | 638.727 |
| Molweight | 638.727 |
| MonoisotopicMass | 638.140609 |
| CLogP | 2.6796 |
| CLogS | -5.448 |
| H Acceptors | 11 |
| TotalSurfaceArea | 451.62 |
| Relative PSA | 0.2881 |
| PolarSurfaceArea | 160.21 |
| Druglikeness | 7.911 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48889 |
| Fragments | 1 |
| Non HAtoms | 45 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 8 |
| Symmetricatoms | 9 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-6-benzyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione | 2 - (2Z)-6-benzyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
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