(5E)-3-[(4-bromophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
Formula:C20H15N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(4-bromophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(4-bromophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C20H15N2O3Br |
| Smiles | C#CCOc1ccc(/C=C(\C(N2Cc(cc3)ccc3Br)=O)/NC2=O)cc1 |
| InChI | InChI=1S/C20H15BrN2O3/c1-2-11-26-17-9-5-14(6-10-17)12-18-19(24)23(20(25)22-18)13-15-3-7-16(21)8-4-15/h1,3-10,12H,11,13H2,(H,22,25) |
| InChIK | CWHBVFFIFUOSBL-UHFFFAOYSA-N |
| TotalMolweight | 411.254 |
| Molweight | 411.254 |
| MonoisotopicMass | 410.026604 |
| CLogP | 3.2217 |
| CLogS | -5.173 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.45 |
| Relative PSA | 0.18152 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 2.9091 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[(4-bromophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(4-bromophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off