(5Z)-5-[(2,4-diphenyl-4H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C25H17NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2,4-diphenyl-4H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2,4-diphenyl-4H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H17NO2S2 |
| Smiles | O=C(/C(/S1)=C/C(C2c3ccccc3)=C(c3ccccc3)Oc3c2cccc3)NC1=S |
| InChI | InChI=1S/C25H17NO2S2/c27-24-21(30-25(29)26-24)15-19-22(16-9-3-1-4-10-16)18-13-7-8-14-20(18)28-23(19)17-11-5-2-6-12-17/h1-15,22H,(H,26,27,29)/t22-/m0/s1 |
| InChIK | SRJBWPHRVUAJIX-QFIPXVFZSA-N |
| TotalMolweight | 427.547 |
| Molweight | 427.547 |
| MonoisotopicMass | 427.070069 |
| CLogP | 4.3582 |
| CLogS | -6.124 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 315.32 |
| Relative PSA | 0.25368 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 2.8195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.36667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[(2,4-diphenyl-4H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(2,4-diphenyl-4H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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