ethyl 2-({3-chloro-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({3-chloro-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({3-chloro-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4059-0424 |
| Compound Name: | ethyl 2-({3-chloro-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 597.13 |
| Molecular Formula: | C31 H33 Cl N2 O6 S |
| Smiles: | CCOC(C1C(c2ccccc2OC(C)C)N2C(=NC=1C)SC(=C\c1cc(c(c(c1)[Cl])OCC=C)OCC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.714 |
| logD: | 6.714 |
| logSw: | -6.3043 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.438 |
| InChI Key: | PYFZFALAOCQJED-MHZLTWQESA-N |