(5E)-3-benzyl-5-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H15N3O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzyl-5-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzyl-5-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H15N3O3S3 |
| Smiles | [O-][N+](c(cc1)cc(/C=C(\C(N2Cc3ccccc3)=O)/SC2=S)c1Sc1ncccc1)=O |
| InChI | InChI=1S/C22H15N3O3S3/c26-21-19(31-22(29)24(21)14-15-6-2-1-3-7-15)13-16-12-17(25(27)28)9-10-18(16)30-20-8-4-5-11-23-20/h1-13H,14H2 |
| InChIK | UHDIOEOWZBGZBY-UHFFFAOYSA-N |
| TotalMolweight | 465.577 |
| Molweight | 465.577 |
| MonoisotopicMass | 465.027552 |
| CLogP | 2.8112 |
| CLogS | -5.675 |
| H Acceptors | 6 |
| TotalSurfaceArea | 335.92 |
| Relative PSA | 0.36009 |
| PolarSurfaceArea | 161.71 |
| Druglikeness | -1.1013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-3-benzyl-5-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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