ethyl (2Z)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-2-[(4-prop-2-enoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Formula:C28H26N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
ethyl (2Z)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-2-[(4-prop-2-enoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is not a drug-like molecule.
| MolName | ethyl (2Z)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-2-[(4-prop-2-enoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| MolecularFormula | C28H26N2O6S |
| Smiles | CCOC(C(C(c(cc1)ccc1OC(C)=O)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)ccc1OCC=C)=O |
| InChI | InChI=1S/C28H26N2O6S/c1-5-15-35-21-11-7-19(8-12-21)16-23-26(32)30-25(20-9-13-22(14-10-20)36-18(4)31)24(27(33)34-6-2)17(3)29-28(30)37-23/h5,7-14,16,25H,1,6,15H2,2-4H3/t25-/m1/s1 |
| InChIK | HGKLFARFUYLSEZ-RUZDIDTESA-N |
| TotalMolweight | 518.588 |
| Molweight | 518.588 |
| MonoisotopicMass | 518.151158 |
| CLogP | 4.5728 |
| CLogS | -5.687 |
| H Acceptors | 8 |
| TotalSurfaceArea | 389 |
| Relative PSA | 0.26136 |
| PolarSurfaceArea | 119.8 |
| Druglikeness | -4.6675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - ethyl (2Z)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-2-[(4-prop-2-enoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | 2 - ethyl (2Z)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-2-[(4-prop-2-enoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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