(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione
Formula:C22H15N4O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C22H15N4O5F |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=C(\C(N2Cc(cccc3)c3F)=O)/NC2=O)cc1)=O |
| InChI | InChI=1S/C22H15FN4O5/c23-18-4-2-1-3-15(18)13-26-21(28)19(25-22(26)29)11-14-5-8-17(9-6-14)32-20-10-7-16(12-24-20)27(30)31/h1-12H,13H2,(H,25,29) |
| InChIK | IXDURHYYXUVCTQ-UHFFFAOYSA-N |
| TotalMolweight | 434.382 |
| Molweight | 434.382 |
| MonoisotopicMass | 434.102649 |
| CLogP | 2.4646 |
| CLogS | -6.498 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 313.79 |
| Relative PSA | 0.29472 |
| PolarSurfaceArea | 117.35 |
| Druglikeness | -1.5548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off