(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
Formula:C21H18N3O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H18N3O2Cl2F |
| Smiles | O=C(/C(/N1)=C/c(cc2)cc(F)c2N2CCCC2)N(Cc(cc2)cc(Cl)c2Cl)C1=O |
| InChI | InChI=1S/C21H18Cl2FN3O2/c22-15-5-3-14(9-16(15)23)12-27-20(28)18(25-21(27)29)11-13-4-6-19(17(24)10-13)26-7-1-2-8-26/h3-6,9-11H,1-2,7-8,12H2,(H,25,29) |
| InChIK | BEVJUNUVZAXNEF-UHFFFAOYSA-N |
| TotalMolweight | 434.297 |
| Molweight | 434.297 |
| MonoisotopicMass | 433.076009 |
| CLogP | 4.3431 |
| CLogS | -6.205 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 304.28 |
| Relative PSA | 0.14671 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 3.6232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
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