(E)-N-(3-chloro-2-piperidin-1-ylphenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
Formula:C24H21N2O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(3-chloro-2-piperidin-1-ylphenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(3-chloro-2-piperidin-1-ylphenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide |
| MolecularFormula | C24H21N2O2Cl3 |
| Smiles | O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc(cccc1Cl)c1N1CCCCC1 |
| InChI | InChI=1S/C24H21Cl3N2O2/c25-18-7-4-6-17(23(18)27)21-12-10-16(31-21)11-13-22(30)28-20-9-5-8-19(26)24(20)29-14-2-1-3-15-29/h4-13H,1-3,14-15H2,(H,28,30) |
| InChIK | JNHYNNPNXQRDOT-UHFFFAOYSA-N |
| TotalMolweight | 475.802 |
| Molweight | 475.802 |
| MonoisotopicMass | 474.066859 |
| CLogP | 6.7262 |
| CLogS | -8.158 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 350.04 |
| Relative PSA | 0.12044 |
| PolarSurfaceArea | 45.48 |
| Druglikeness | 1.2713 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| 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 | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-N-(3-chloro-2-piperidin-1-ylphenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide | 2 - (E)-N-(3-chloro-2-piperidin-1-ylphenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
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