(3R)-1-(3,5-dichlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
Formula:C21H21N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-1-(3,5-dichlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3R)-1-(3,5-dichlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione |
| MolecularFormula | C21H21N3O3Cl2 |
| Smiles | COc(cc1)ccc1N(CC1)CCN1[C@H](CC(N1c2cc(Cl)cc(Cl)c2)=O)C1=O |
| InChI | InChI=1S/C21H21Cl2N3O3/c1-29-18-4-2-16(3-5-18)24-6-8-25(9-7-24)19-13-20(27)26(21(19)28)17-11-14(22)10-15(23)12-17/h2-5,10-12,19H,6-9,13H2,1H3/t19-/m1/s1 |
| InChIK | HAWKRZWJKPNCEA-LJQANCHMSA-N |
| TotalMolweight | 434.322 |
| Molweight | 434.322 |
| MonoisotopicMass | 433.095996 |
| CLogP | 3.1019 |
| CLogS | -4.437 |
| H Acceptors | 6 |
| TotalSurfaceArea | 306.82 |
| Relative PSA | 0.1523 |
| PolarSurfaceArea | 53.09 |
| Druglikeness | 6.783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (3R)-1-(3,5-dichlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione | 2 - (3R)-1-(3,5-dichlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
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