6-butyl 8-methyl 5-amino-2-methyl-7-(4-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Chemical Structure Depiction of
6-butyl 8-methyl 5-amino-2-methyl-7-(4-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
6-butyl 8-methyl 5-amino-2-methyl-7-(4-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Compound characteristics
| Compound ID: | 8014-1929 |
| Compound Name: | 6-butyl 8-methyl 5-amino-2-methyl-7-(4-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | CCCCOC(C1C(C(=C2N(C=1N)C(C(C)S2)=O)C(=O)OC)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1895 |
| logD: | 3.1894 |
| logSw: | -3.4261 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.164 |
| InChI Key: | FIORJANDUNVVQZ-UHFFFAOYSA-N |