ethyl 2-{[4-(benzyloxy)-3-methoxy-5-nitrophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-(benzyloxy)-3-methoxy-5-nitrophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(benzyloxy)-3-methoxy-5-nitrophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-1856 |
| Compound Name: | ethyl 2-{[4-(benzyloxy)-3-methoxy-5-nitrophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 585.64 |
| Molecular Formula: | C31 H27 N3 O7 S |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1C)SC(=C\c1cc(c(c(c1)OC)OCc1ccccc1)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7716 |
| logD: | 5.7716 |
| logSw: | -5.4978 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.859 |
| InChI Key: | NNKYXTATLRASCM-HHHXNRCGSA-N |