(3R)-1-(4-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrrolidine-2,5-dione
Formula:C20H17N4O2Cl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(3R)-1-(4-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3R)-1-(4-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrrolidine-2,5-dione |
| MolecularFormula | C20H17N4O2Cl2F3 |
| Smiles | O=C(C[C@H](C1=O)N(CC2)CCN2c(ncc(C(F)(F)F)c2)c2Cl)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H17Cl2F3N4O2/c21-13-1-3-14(4-2-13)29-17(30)10-16(19(29)31)27-5-7-28(8-6-27)18-15(22)9-12(11-26-18)20(23,24)25/h1-4,9,11,16H,5-8,10H2/t16-/m1/s1 |
| InChIK | WLQLAKDGIOLXIJ-MRXNPFEDSA-N |
| TotalMolweight | 473.281 |
| Molweight | 473.281 |
| MonoisotopicMass | 472.068064 |
| CLogP | 3.3707 |
| CLogS | -4.927 |
| H Acceptors | 6 |
| TotalSurfaceArea | 312.78 |
| Relative PSA | 0.1525 |
| PolarSurfaceArea | 56.75 |
| Druglikeness | -0.33633 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-1-(4-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrrolidine-2,5-dione | 2 - (3R)-1-(4-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrrolidine-2,5-dione
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