methyl 7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2388-1053 |
| Compound Name: | methyl 7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C20 H15 N3 O5 S2 |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C/c1cccc(c1)[N+]([O-])=O)S2)=O)C(=O)OC)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4742 |
| logD: | 3.4742 |
| logSw: | -3.7691 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.567 |
| InChI Key: | PXWRDNPUUVLOCF-QGZVFWFLSA-N |