ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Formula:C27H26N2O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is not a drug-like molecule.
| MolName | ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| MolecularFormula | C27H26N2O7S |
| Smiles | CCOC(C(C(c(cc(cc1)OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)ccc1C(OC)=O)=O |
| InChI | InChI=1S/C27H26N2O7S/c1-6-36-26(32)22-15(2)28-27-29(23(22)19-14-18(33-3)11-12-20(19)34-4)24(30)21(37-27)13-16-7-9-17(10-8-16)25(31)35-5/h7-14,23H,6H2,1-5H3/t23-/m1/s1 |
| InChIK | QFBJDBGFVJIUBK-HSZRJFAPSA-N |
| TotalMolweight | 522.576 |
| Molweight | 522.576 |
| MonoisotopicMass | 522.146073 |
| CLogP | 3.7539 |
| CLogS | -5.037 |
| H Acceptors | 9 |
| TotalSurfaceArea | 385.22 |
| Relative PSA | 0.28989 |
| PolarSurfaceArea | 129.03 |
| Druglikeness | -1.4393 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | 2 - ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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