ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-{[4-(methylsulfanyl)phenyl]methylidene}-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)-7-methyl-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8009-0639 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C25 H22 N2 O5 S2 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C\c1ccc(cc1)SC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1623 |
| logD: | 5.1623 |
| logSw: | -5.1324 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.863 |
| InChI Key: | FRAZGBIRJVBYIO-JOCHJYFZSA-N |