ethyl 2-({3-methoxy-4-[(2-nitrobenzene-1-sulfonyl)oxy]phenyl}methylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({3-methoxy-4-[(2-nitrobenzene-1-sulfonyl)oxy]phenyl}methylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({3-methoxy-4-[(2-nitrobenzene-1-sulfonyl)oxy]phenyl}methylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3202-0272 |
| Compound Name: | ethyl 2-({3-methoxy-4-[(2-nitrobenzene-1-sulfonyl)oxy]phenyl}methylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 665.7 |
| Molecular Formula: | C31 H27 N3 O10 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)N2C(=NC=1C)SC(=C\c1ccc(c(c1)OC)OS(c1ccccc1[N+]([O-])=O)(=O)=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6173 |
| logD: | 4.6173 |
| logSw: | -4.5041 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 129.85 |
| InChI Key: | WAQLCJPTLWVHKQ-NDEPHWFRSA-N |