(E)-3-(3-bromo-4-methoxyphenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
Formula:C21H19N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromo-4-methoxyphenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-bromo-4-methoxyphenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide |
| MolecularFormula | C21H19N2O3BrS |
| Smiles | CCOc(cccc1)c1-c1csc(NC(/C=C/c(cc2)cc(Br)c2OC)=O)n1 |
| InChI | InChI=1S/C21H19BrN2O3S/c1-3-27-18-7-5-4-6-15(18)17-13-28-21(23-17)24-20(25)11-9-14-8-10-19(26-2)16(22)12-14/h4-13H,3H2,1-2H3,(H,23,24,25) |
| InChIK | XJEOMKSJNABHSU-UHFFFAOYSA-N |
| TotalMolweight | 459.363 |
| Molweight | 459.363 |
| MonoisotopicMass | 458.029974 |
| CLogP | 5.5033 |
| CLogS | -6.179 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 320.1 |
| Relative PSA | 0.23689 |
| PolarSurfaceArea | 88.69 |
| Druglikeness | -1.762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(3-bromo-4-methoxyphenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-3-(3-bromo-4-methoxyphenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
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