(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate
Formula:C16H11N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate |
| MolecularFormula | C16H11N2O3ClS |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)OCC(N=C1SC=CN11)=CC1=O |
| InChI | InChI=1S/C16H11ClN2O3S/c17-12-3-1-2-11(8-12)4-5-15(21)22-10-13-9-14(20)19-6-7-23-16(19)18-13/h1-9H,10H2 |
| InChIK | DJTKBQHZLVRJBX-UHFFFAOYSA-N |
| TotalMolweight | 346.793 |
| Molweight | 346.793 |
| MonoisotopicMass | 346.01789 |
| CLogP | 2.3968 |
| CLogS | -4.486 |
| H Acceptors | 5 |
| TotalSurfaceArea | 249.41 |
| Relative PSA | 0.27517 |
| PolarSurfaceArea | 84.27 |
| Druglikeness | -1.0563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| 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 |
| Amides | 1 |
| StereoCon |
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