ethyl 2-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8007-8888 |
| Compound Name: | ethyl 2-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 620.08 |
| Molecular Formula: | C31 H26 Cl N3 O7 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])N2C(=NC=1C)SC(=C\c1cc(c(cc1[N+]([O-])=O)OCc1ccccc1)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.855 |
| logD: | 5.855 |
| logSw: | -6.103 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.773 |
| InChI Key: | COXQQRGMEDSJFB-NDEPHWFRSA-N |