(4E)-1-benzyl-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Formula:C24H17NO3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C24H17NO3BrCl |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1Br)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H17BrClNO3/c25-18-10-6-16(7-11-18)21-20(22(28)17-8-12-19(26)13-9-17)23(29)24(30)27(21)14-15-4-2-1-3-5-15/h1-13,21,28H,14H2/t21-/m1/s1 |
| InChIK | CMMWMBNLQWVURT-OAQYLSRUSA-N |
| TotalMolweight | 482.76 |
| Molweight | 482.76 |
| MonoisotopicMass | 481.008032 |
| CLogP | 4.6884 |
| CLogS | -5.041 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 314.66 |
| Relative PSA | 0.1358 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -1.1888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-1-benzyl-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
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