ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0647 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 660.62 |
| Molecular Formula: | C31 H24 N4 O11 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1ccc(c(c1)OC)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5335 |
| logD: | 5.5335 |
| logSw: | -5.4948 |
| Hydrogen bond acceptors count: | 19 |
| Polar surface area: | 143.876 |
| InChI Key: | PFHQEYNZYKXJQZ-MUUNZHRXSA-N |