(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
Formula:C24H22NO4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide |
| MolecularFormula | C24H22NO4Br |
| Smiles | COc(cccc1)c1NC(/C=C/c(cc1OC)cc(Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C24H22BrNO4/c1-28-21-11-7-6-10-20(21)26-23(27)13-12-18-14-19(25)24(22(15-18)29-2)30-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,26,27) |
| InChIK | JUKMXIFERCVUHF-UHFFFAOYSA-N |
| TotalMolweight | 468.346 |
| Molweight | 468.346 |
| MonoisotopicMass | 467.07322 |
| CLogP | 5.0696 |
| CLogS | -5.709 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 335.4 |
| Relative PSA | 0.16249 |
| PolarSurfaceArea | 56.79 |
| Druglikeness | -2.3175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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