(5E)-3-[(4-fluorophenyl)methyl]-5-[[2-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
Formula:C24H18N3O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(4-fluorophenyl)methyl]-5-[[2-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(4-fluorophenyl)methyl]-5-[[2-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C24H18N3O5F |
| Smiles | [O-][N+](c1cccc(COc2c(/C=C(\C(N3Cc(cc4)ccc4F)=O)/NC3=O)cccc2)c1)=O |
| InChI | InChI=1S/C24H18FN3O5/c25-19-10-8-16(9-11-19)14-27-23(29)21(26-24(27)30)13-18-5-1-2-7-22(18)33-15-17-4-3-6-20(12-17)28(31)32/h1-13H,14-15H2,(H,26,30) |
| InChIK | PFVZMINQFKQMMZ-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 | 0.57576 |
| 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 | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-3-[(4-fluorophenyl)methyl]-5-[[2-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(4-fluorophenyl)methyl]-5-[[2-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
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