3-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H17N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H17N3OS2 |
| Smiles | O=C(CSC1=S)N1/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C22H17N3OS2/c26-21-16-28-22(27)25(21)23-15-17-11-13-20(14-12-17)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H,16H2 |
| InChIK | OUILHGNJJRPKKF-UHFFFAOYSA-N |
| TotalMolweight | 403.529 |
| Molweight | 403.529 |
| MonoisotopicMass | 403.081302 |
| CLogP | 3.5362 |
| CLogS | -7.441 |
| H Acceptors | 4 |
| TotalSurfaceArea | 306.35 |
| Relative PSA | 0.2518 |
| PolarSurfaceArea | 93.3 |
| Druglikeness | 4.1065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 3-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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