| MolName | (E)-3-(4-chlorophenyl)-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide |
| MolecularFormula | C24H22N3O3Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(cc1)ccc1N(CC1)CCN1C(c1ccco1)=O |
| InChI | InChI=1S/C24H22ClN3O3/c25-19-6-3-18(4-7-19)5-12-23(29)26-20-8-10-21(11-9-20)27-13-15-28(16-14-27)24(30)22-2-1-17-31-22/h1-12,17H,13-16H2,(H,26,29) |
| InChIK | MOMPEJGUZPKVIC-UHFFFAOYSA-N |
| TotalMolweight | 435.91 |
| Molweight | 435.91 |
| MonoisotopicMass | 435.134969 |
| CLogP | 4.2099 |
| CLogS | -4.973 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 333.49 |
| Relative PSA | 0.17617 |
| PolarSurfaceArea | 65.79 |
| Druglikeness | 5.6671 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-3-(4-chlorophenyl)-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide | 2 - (E)-3-(4-chlorophenyl)-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide