ethyl (2E,5S)-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Formula:C23H18N2O3F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl (2E,5S)-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is a drug-like molecule.
| MolName | ethyl (2E,5S)-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| MolecularFormula | C23H18N2O3F2S |
| Smiles | CCOC(C([C@H](c(cc1)ccc1F)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C23H18F2N2O3S/c1-3-30-22(29)19-13(2)26-23-27(20(19)15-6-10-17(25)11-7-15)21(28)18(31-23)12-14-4-8-16(24)9-5-14/h4-12,20H,3H2,1-2H3/t20-/m1/s1 |
| InChIK | BFZGVRRACBSFCY-HXUWFJFHSA-N |
| TotalMolweight | 440.469 |
| Molweight | 440.469 |
| MonoisotopicMass | 440.100619 |
| CLogP | 4.1825 |
| CLogS | -5.488 |
| H Acceptors | 5 |
| TotalSurfaceArea | 313.39 |
| Relative PSA | 0.21899 |
| PolarSurfaceArea | 84.27 |
| Druglikeness | -0.6369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - ethyl (2E,5S)-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | 2 - ethyl (2E,5S)-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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