(5Z)-3-benzoyl-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C17H10N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzoyl-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-benzoyl-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C17H10N2O2Cl2S |
| Smiles | O=C(c1ccccc1)N(C(/C(/N1)=C/c(cc2)cc(Cl)c2Cl)=O)C1=S |
| InChI | InChI=1S/C17H10Cl2N2O2S/c18-12-7-6-10(8-13(12)19)9-14-16(23)21(17(24)20-14)15(22)11-4-2-1-3-5-11/h1-9H,(H,20,24) |
| InChIK | NFYJNLHVQSZLTR-UHFFFAOYSA-N |
| TotalMolweight | 377.25 |
| Molweight | 377.25 |
| MonoisotopicMass | 375.984002 |
| CLogP | 4.1942 |
| CLogS | -5.382 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.04 |
| Relative PSA | 0.26068 |
| PolarSurfaceArea | 81.5 |
| Druglikeness | 2.7831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-benzoyl-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-3-benzoyl-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
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