ethyl 7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2-({3-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2-({3-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2-({3-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | 4059-0622 |
Compound Name: | ethyl 7-methyl-3-oxo-5-{2-[(propan-2-yl)oxy]phenyl}-2-({3-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
Molecular Weight: | 516.62 |
Molecular Formula: | C29 H28 N2 O5 S |
Smiles: | CCOC(C1C(c2ccccc2OC(C)C)N2C(=NC=1C)SC(=C/c1cccc(c1)OCC#C)\C2=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.2337 |
logD: | 5.2337 |
logSw: | -5.0601 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 60.054 |
InChI Key: | BNXPKBUXOYMDJE-AREMUKBSSA-N |