(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Formula:C14H12N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is a drug-like molecule.
| MolName | (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one |
| MolecularFormula | C14H12N2O3S |
| Smiles | O=C(/C(/S1)=C/c(cc2)cc3c2OCO3)N2C1=NCCC2 |
| InChI | InChI=1S/C14H12N2O3S/c17-13-12(20-14-15-4-1-5-16(13)14)7-9-2-3-10-11(6-9)19-8-18-10/h2-3,6-7H,1,4-5,8H2 |
| InChIK | BUSMPEGMXHJTDS-UHFFFAOYSA-N |
| TotalMolweight | 288.326 |
| Molweight | 288.326 |
| MonoisotopicMass | 288.056863 |
| CLogP | 2.1764 |
| CLogS | -3.97 |
| H Acceptors | 5 |
| TotalSurfaceArea | 201.02 |
| Relative PSA | 0.32629 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | 5.1748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one | 2 - (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
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