(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
Formula:C24H18N3O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C24H18N3O5F |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=C(/C(N3Cc(cc4)ccc4F)=O)\NC3=O)cc2)cc1)=O |
| InChI | InChI=1S/C24H18FN3O5/c25-19-7-1-17(2-8-19)14-27-23(29)22(26-24(27)30)13-16-5-11-21(12-6-16)33-15-18-3-9-20(10-4-18)28(31)32/h1-13H,14-15H2,(H,26,30) |
| InChIK | GMHOXHLIDVFPSG-UHFFFAOYSA-N |
| TotalMolweight | 447.421 |
| Molweight | 447.421 |
| MonoisotopicMass | 447.12305 |
| CLogP | 3.0666 |
| CLogS | -5.812 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 328.79 |
| Relative PSA | 0.24791 |
| PolarSurfaceArea | 104.46 |
| Druglikeness | -1.7043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
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