(5Z)-5-[[4-(N-phenylanilino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C22H17N3OS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(5Z)-5-[[4-(N-phenylanilino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[4-(N-phenylanilino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C22H17N3OS |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2N(c2ccccc2)c2ccccc2)NC1=S |
| InChI | InChI=1S/C22H17N3OS/c26-21-20(23-22(27)24-21)15-16-11-13-19(14-12-16)25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H2,23,24,26,27) |
| InChIK | IXMVGAFGWOLRNY-UHFFFAOYSA-N |
| TotalMolweight | 371.463 |
| Molweight | 371.463 |
| MonoisotopicMass | 371.109232 |
| CLogP | 3.8232 |
| CLogS | -6.996 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 287.67 |
| Relative PSA | 0.23468 |
| PolarSurfaceArea | 76.46 |
| Druglikeness | 2.8075 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-5-[[4-(N-phenylanilino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[[4-(N-phenylanilino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
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