(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H17N3O4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H17N3O4S3 |
| Smiles | CC(NN1c2ccccc2)=C(/C=C(/C(N2C(CC3)CS3(=O)=O)=O)\SC2=S)C1=O |
| InChI | InChI=1S/C18H17N3O4S3/c1-11-14(16(22)21(19-11)12-5-3-2-4-6-12)9-15-17(23)20(18(26)27-15)13-7-8-28(24,25)10-13/h2-6,9,13,19H,7-8,10H2,1H3/t13-/m1/s1 |
| InChIK | HEXRSYZUSQNKOL-CYBMUJFWSA-N |
| TotalMolweight | 435.548 |
| Molweight | 435.548 |
| MonoisotopicMass | 435.038117 |
| CLogP | -0.3284 |
| CLogS | -3.588 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 292.77 |
| Relative PSA | 0.40547 |
| PolarSurfaceArea | 152.56 |
| Druglikeness | 2.8563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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