(5R)-5-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Formula:C24H26N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5R)-5-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (5R)-5-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C24H26N2O3Cl2 |
| Smiles | Cc1cc(C(O)=C([C@@H](c(cc2)cc(Cl)c2Cl)N(CCCN(C)C)C2=O)C2=O)c(C)cc1 |
| InChI | InChI=1S/C24H26Cl2N2O3/c1-14-6-7-15(2)17(12-14)22(29)20-21(16-8-9-18(25)19(26)13-16)28(24(31)23(20)30)11-5-10-27(3)4/h6-9,12-13,21,29H,5,10-11H2,1-4H3/t21-/m1/s1 |
| InChIK | RBBBYIANWUXBOF-OAQYLSRUSA-N |
| TotalMolweight | 461.387 |
| Molweight | 461.387 |
| MonoisotopicMass | 460.132047 |
| CLogP | 3.9931 |
| CLogS | -4.001 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.55 |
| Relative PSA | 0.1367 |
| PolarSurfaceArea | 60.85 |
| Druglikeness | 3.4675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (5R)-5-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione | 2 - (5R)-5-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
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