ethyl 2-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3667-0580 |
| Compound Name: | ethyl 2-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 586.44 |
| Molecular Formula: | C26 H21 Br F N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])OCC#N)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5264 |
| logD: | 4.5264 |
| logSw: | -4.3983 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.461 |
| InChI Key: | AMMBWLZYUNFFIX-QFIPXVFZSA-N |