(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C25H19N3O4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H19N3O4S3 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(cccc3)c3o2)N(C(CC2)CS2(=O)=O)C1=S |
| InChI | InChI=1S/C25H19N3O4S3/c29-24-22(34-25(33)28(24)19-10-11-35(30,31)15-19)13-17-14-27(18-7-2-1-3-8-18)26-23(17)21-12-16-6-4-5-9-20(16)32-21/h1-9,12-14,19H,10-11,15H2/t19-/m1/s1 |
| InChIK | YMIAVTSPJFYQJR-LJQANCHMSA-N |
| TotalMolweight | 521.641 |
| Molweight | 521.641 |
| MonoisotopicMass | 521.053767 |
| CLogP | 2.2224 |
| CLogS | -6.046 |
| H Acceptors | 7 |
| TotalSurfaceArea | 363.35 |
| Relative PSA | 0.33744 |
| PolarSurfaceArea | 151.18 |
| Druglikeness | 3.4983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
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