(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
Formula:C16H10N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate |
| MolecularFormula | C16H10N2O3Cl2S |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)OCC(N=C1SC=CN11)=CC1=O |
| InChI | InChI=1S/C16H10Cl2N2O3S/c17-12-3-1-10(7-13(12)18)2-4-15(22)23-9-11-8-14(21)20-5-6-24-16(20)19-11/h1-8H,9H2 |
| InChIK | YHOWUSMEQSHIFP-UHFFFAOYSA-N |
| TotalMolweight | 381.238 |
| Molweight | 381.238 |
| MonoisotopicMass | 379.978917 |
| CLogP | 3.0028 |
| CLogS | -5.222 |
| H Acceptors | 5 |
| TotalSurfaceArea | 264.83 |
| Relative PSA | 0.25915 |
| PolarSurfaceArea | 84.27 |
| Druglikeness | -1.0563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate | 2 - (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
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