(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide
Formula:C23H19NO2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide |
| MolecularFormula | C23H19NO2BrCl |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc(cc1)ccc1Br)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H19BrClNO2/c24-20-8-1-19(2-9-20)16-28-22-12-5-17(6-13-22)7-14-23(27)26-15-18-3-10-21(25)11-4-18/h1-14H,15-16H2,(H,26,27) |
| InChIK | AXYBXGOCYZSWFL-UHFFFAOYSA-N |
| TotalMolweight | 456.766 |
| Molweight | 456.766 |
| MonoisotopicMass | 455.028767 |
| CLogP | 5.525 |
| CLogS | -6.225 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 320.06 |
| Relative PSA | 0.10779 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -1.805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide | 2 - (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide
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