ethyl 2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]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-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]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: | 3270-0567 |
| Compound Name: | ethyl 2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 646.63 |
| Molecular Formula: | C31 H26 N4 O10 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)N2C(=NC=1C)SC(=C/c1ccc(c(c1)OC)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.555 |
| logD: | 5.555 |
| logSw: | -5.4829 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 134.305 |
| InChI Key: | NVAKTFUGKXWZQA-MUUNZHRXSA-N |