(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-phenylprop-2-enoate
Formula:C16H12N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-phenylprop-2-enoate |
| MolecularFormula | C16H12N2O3S |
| Smiles | O=C(/C=C/c1ccccc1)OCC(N=C1SC=CN11)=CC1=O |
| InChI | InChI=1S/C16H12N2O3S/c19-14-10-13(17-16-18(14)8-9-22-16)11-21-15(20)7-6-12-4-2-1-3-5-12/h1-10H,11H2 |
| InChIK | AVPPOGYXONAUBT-UHFFFAOYSA-N |
| TotalMolweight | 312.348 |
| Molweight | 312.348 |
| MonoisotopicMass | 312.056863 |
| CLogP | 1.7908 |
| CLogS | -3.75 |
| H Acceptors | 5 |
| TotalSurfaceArea | 233.99 |
| Relative PSA | 0.2933 |
| PolarSurfaceArea | 84.27 |
| Druglikeness | -1.1373 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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