(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
Formula:C16H11N2O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate |
| MolecularFormula | C16H11N2O3FS |
| Smiles | O=C(/C=C/c(cc1)ccc1F)OCC(N=C1SC=CN11)=CC1=O |
| InChI | InChI=1S/C16H11FN2O3S/c17-12-4-1-11(2-5-12)3-6-15(21)22-10-13-9-14(20)19-7-8-23-16(19)18-13/h1-9H,10H2 |
| InChIK | HWADIOKKXAULPT-UHFFFAOYSA-N |
| TotalMolweight | 330.338 |
| Molweight | 330.338 |
| MonoisotopicMass | 330.047441 |
| CLogP | 1.8916 |
| CLogS | -4.064 |
| H Acceptors | 5 |
| TotalSurfaceArea | 240.34 |
| Relative PSA | 0.28555 |
| PolarSurfaceArea | 84.27 |
| Druglikeness | -2.4773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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