(5Z)-3-[(4-bromophenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
Formula:C24H15N3O5BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-bromophenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-3-[(4-bromophenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C24H15N3O5BrF3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1ccc(/C=C(/C(N2Cc(cc3)ccc3Br)=O)\NC2=O)cc1)=O |
| InChI | InChI=1S/C24H15BrF3N3O5/c25-17-6-1-15(2-7-17)13-30-22(32)19(29-23(30)33)11-14-3-8-18(9-4-14)36-21-10-5-16(24(26,27)28)12-20(21)31(34)35/h1-12H,13H2,(H,29,33) |
| InChIK | HYQXKFBRVXBKIL-UHFFFAOYSA-N |
| TotalMolweight | 562.297 |
| Molweight | 562.297 |
| MonoisotopicMass | 561.014717 |
| CLogP | 4.5868 |
| CLogS | -8.066 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 356.77 |
| Relative PSA | 0.22847 |
| PolarSurfaceArea | 104.46 |
| Druglikeness | -9.1948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| 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-bromophenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(4-bromophenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
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