(5E)-5-[(3-bromophenyl)methylidene]-3-(2,4-dichlorobenzoyl)-2-sulfanylideneimidazolidin-4-one
Formula:C17H9N2O2BrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-bromophenyl)methylidene]-3-(2,4-dichlorobenzoyl)-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-bromophenyl)methylidene]-3-(2,4-dichlorobenzoyl)-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C17H9N2O2BrCl2S |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N(C(/C(/N1)=C\c2cccc(Br)c2)=O)C1=S |
| InChI | InChI=1S/C17H9BrCl2N2O2S/c18-10-3-1-2-9(6-10)7-14-16(24)22(17(25)21-14)15(23)12-5-4-11(19)8-13(12)20/h1-8H,(H,21,25) |
| InChIK | ITOLAKHTGLKWDU-UHFFFAOYSA-N |
| TotalMolweight | 456.146 |
| Molweight | 456.146 |
| MonoisotopicMass | 453.894513 |
| CLogP | 4.9194 |
| CLogS | -6.216 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.67 |
| Relative PSA | 0.24356 |
| PolarSurfaceArea | 81.5 |
| Druglikeness | 0.99315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(3-bromophenyl)methylidene]-3-(2,4-dichlorobenzoyl)-2-sulfanylideneimidazolidin-4-one | 2 - (5E)-5-[(3-bromophenyl)methylidene]-3-(2,4-dichlorobenzoyl)-2-sulfanylideneimidazolidin-4-one
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