| MolName | [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] (Z)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate |
| MolecularFormula | C24H24N2O4ClF |
| Smiles | O=C(COC(/C(/c(cc1)ccc1F)=C\c(cc1)ccc1Cl)=O)NCCCN(CCC1)C1=O |
| InChI | InChI=1S/C24H24ClFN2O4/c25-19-8-4-17(5-9-19)15-21(18-6-10-20(26)11-7-18)24(31)32-16-22(29)27-12-2-14-28-13-1-3-23(28)30/h4-11,15H,1-3,12-14,16H2,(H,27,29) |
| InChIK | FTMSXMVXEDRQME-UHFFFAOYSA-N |
| TotalMolweight | 458.916 |
| Molweight | 458.916 |
| MonoisotopicMass | 458.140863 |
| CLogP | 3.4081 |
| CLogS | -4.262 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 347.33 |
| Relative PSA | 0.18464 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 4.2683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] (Z)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate | 2 - [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] (Z)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate