ethyl 2-({3,5-dibromo-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({3,5-dibromo-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({3,5-dibromo-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2030-0080 |
| Compound Name: | ethyl 2-({3,5-dibromo-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 661.41 |
| Molecular Formula: | C28 H27 Br2 N3 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)N(C)C)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])OCC=C)[Br])\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4185 |
| logD: | 6.4041 |
| logSw: | -5.6841 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.143 |
| InChI Key: | SMTOCHHDXSODHC-DEOSSOPVSA-N |