6-ethyl 8-methyl 5-amino-3-oxo-7-[4-(propan-2-yl)phenyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Chemical Structure Depiction of
6-ethyl 8-methyl 5-amino-3-oxo-7-[4-(propan-2-yl)phenyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
6-ethyl 8-methyl 5-amino-3-oxo-7-[4-(propan-2-yl)phenyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Compound characteristics
| Compound ID: | 5066-0016 |
| Compound Name: | 6-ethyl 8-methyl 5-amino-3-oxo-7-[4-(propan-2-yl)phenyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C31 H34 N2 O5 S |
| Smiles: | CCOC(C1C(C(=C2N(C=1N)C(/C(=C/c1ccc(cc1)C(C)C)S2)=O)C(=O)OC)c1ccc(cc1)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6267 |
| logD: | 6.6267 |
| logSw: | -5.7618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.217 |
| InChI Key: | UOCGVQLJQAZWGC-DEOSSOPVSA-N |