(3R)-1-(3-bromophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
Formula:C19H19N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-1-(3-bromophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3R)-1-(3-bromophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione |
| MolecularFormula | C19H19N4O2Br |
| Smiles | O=C(C[C@H](C1=O)N(CC2)CCN2c2ncccc2)N1c1cccc(Br)c1 |
| InChI | InChI=1S/C19H19BrN4O2/c20-14-4-3-5-15(12-14)24-18(25)13-16(19(24)26)22-8-10-23(11-9-22)17-6-1-2-7-21-17/h1-7,12,16H,8-11,13H2/t16-/m0/s1 |
| InChIK | SOUGVHUCNNLJER-INIZCTEOSA-N |
| TotalMolweight | 415.29 |
| Molweight | 415.29 |
| MonoisotopicMass | 414.069137 |
| CLogP | 2.0356 |
| CLogS | -3.511 |
| H Acceptors | 6 |
| TotalSurfaceArea | 271.11 |
| Relative PSA | 0.17594 |
| PolarSurfaceArea | 56.75 |
| Druglikeness | 5.0524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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1 - (3R)-1-(3-bromophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione | 2 - (3R)-1-(3-bromophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
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