(3E)-1-(3-bromophenyl)-3-[[4-[(E)-[1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-ylidene]methyl]phenyl]methylidene]pyrrolidine-2,5-dione
Formula:C28H18N2O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-1-(3-bromophenyl)-3-[[4-[(E)-[1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-ylidene]methyl]phenyl]methylidene]pyrrolidine-2,5-dione is not a drug-like molecule.
| MolName | (3E)-1-(3-bromophenyl)-3-[[4-[(E)-[1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-ylidene]methyl]phenyl]methylidene]pyrrolidine-2,5-dione |
| MolecularFormula | C28H18N2O4Br2 |
| Smiles | O=C(C/C(/C1=O)=C\c2ccc(/C=C(\CC(N3c4cccc(Br)c4)=O)/C3=O)cc2)N1c1cc(Br)ccc1 |
| InChI | InChI=1S/C28H18Br2N2O4/c29-21-3-1-5-23(15-21)31-25(33)13-19(27(31)35)11-17-7-9-18(10-8-17)12-20-14-26(34)32(28(20)36)24-6-2-4-22(30)16-24/h1-12,15-16H,13-14H2 |
| InChIK | DNEWVCBAGDZJJM-UHFFFAOYSA-N |
| TotalMolweight | 606.269 |
| Molweight | 606.269 |
| MonoisotopicMass | 603.96333 |
| CLogP | 5.3216 |
| CLogS | -7.444 |
| H Acceptors | 6 |
| TotalSurfaceArea | 371.58 |
| Relative PSA | 0.15948 |
| PolarSurfaceArea | 74.76 |
| Druglikeness | 1.4197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 19 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-1-(3-bromophenyl)-3-[[4-[(E)-[1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-ylidene]methyl]phenyl]methylidene]pyrrolidine-2,5-dione | 2 - (3E)-1-(3-bromophenyl)-3-[[4-[(E)-[1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-ylidene]methyl]phenyl]methylidene]pyrrolidine-2,5-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off