(E)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
Formula:C23H17N3O2ClF5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C23H17N3O2ClF5 |
| Smiles | O=C(/C=C/c1ccco1)Nc(cc1)cc(Cl)c1N(CC1)CCN1c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C23H17ClF5N3O2/c24-15-12-13(30-17(33)6-4-14-2-1-11-34-14)3-5-16(15)31-7-9-32(10-8-31)23-21(28)19(26)18(25)20(27)22(23)29/h1-6,11-12H,7-10H2,(H,30,33) |
| InChIK | ISZANWSKKVKMJY-UHFFFAOYSA-N |
| TotalMolweight | 497.85 |
| Molweight | 497.85 |
| MonoisotopicMass | 497.092944 |
| CLogP | 4.7086 |
| CLogS | -6.936 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 347.49 |
| Relative PSA | 0.13154 |
| PolarSurfaceArea | 48.72 |
| Druglikeness | 2.3959 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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1 - (E)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
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