dimethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Chemical Structure Depiction of
dimethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
dimethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Compound characteristics
Compound ID: | 6427-0948 |
Compound Name: | dimethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate |
Molecular Weight: | 426.42 |
Molecular Formula: | C16 H14 N2 O8 S2 |
Smiles: | COC(C1C(C2=C(NC(=O)S2)SC1C(=O)OC)c1cc(ccc1O)[N+]([O-])=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.6827 |
logD: | 2.4618 |
logSw: | -3.1386 |
Hydrogen bond acceptors count: | 15 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 115.499 |
InChI Key: | KEVXQYVXTVVSMH-UHFFFAOYSA-N |