dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Chemical Structure Depiction of
dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Compound characteristics
| Compound ID: | 5512-0386 |
| Compound Name: | dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C16 H12 N2 O7 S2 |
| Smiles: | COC(C1C(C2=C(NC(=O)S2)SC=1C(=O)OC)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0422 |
| logD: | 3.0363 |
| logSw: | -3.4773 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.951 |
| InChI Key: | MSUIXAOPKQHUDR-SECBINFHSA-N |