ethyl 5-(3,4-dimethoxyphenyl)-7-methyl-2-{[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(3,4-dimethoxyphenyl)-7-methyl-2-{[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(3,4-dimethoxyphenyl)-7-methyl-2-{[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y505-4547 |
| Compound Name: | ethyl 5-(3,4-dimethoxyphenyl)-7-methyl-2-{[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 592.67 |
| Molecular Formula: | C30 H32 N4 O7 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)OC)OC)N2C(=NC=1C)SC(=C\c1cc(ccc1N1CCCCC1)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.301 |
| logD: | 5.301 |
| logSw: | -5.276 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.54 |
| InChI Key: | NDGSAVVJTKNQHE-HHHXNRCGSA-N |