(2Z)-5,7-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Formula:C23H16N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-5,7-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is not a drug-like molecule.
| MolName | (2Z)-5,7-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one |
| MolecularFormula | C23H16N2OS2 |
| Smiles | O=C(/C(/S1)=C/c2cccs2)N2C1=NC(c1ccccc1)=CC2c1ccccc1 |
| InChI | InChI=1S/C23H16N2OS2/c26-22-21(14-18-12-7-13-27-18)28-23-24-19(16-8-3-1-4-9-16)15-20(25(22)23)17-10-5-2-6-11-17/h1-15,20H/t20-/m1/s1 |
| InChIK | QSYLZYXIUVJCNF-HXUWFJFHSA-N |
| TotalMolweight | 400.525 |
| Molweight | 400.525 |
| MonoisotopicMass | 400.070403 |
| CLogP | 5.144 |
| CLogS | -5.673 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.15 |
| Relative PSA | 0.22574 |
| PolarSurfaceArea | 86.21 |
| Druglikeness | 4.2818 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (2Z)-5,7-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one | 2 - (2Z)-5,7-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
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