ethyl 2-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4489-4782 |
| Compound Name: | ethyl 2-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 591.15 |
| Molecular Formula: | C31 H27 Cl N2 O4 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)N2C(=NC=1C)SC(=C/c1ccc(cc1)OCc1ccc(cc1)[Cl])\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2106 |
| logD: | 7.2105 |
| logSw: | -6.5352 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 52.975 |
| InChI Key: | KJLVUFSUKVMMFA-NDEPHWFRSA-N |