ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2032-0097 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 589.07 |
| Molecular Formula: | C31 H25 Cl N2 O6 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1ccc(cc1)OCc1ccc(cc1)[Cl])\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.452 |
| logD: | 6.452 |
| logSw: | -6.4242 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.09 |
| InChI Key: | ZXMDMEUQTDOQGB-NDEPHWFRSA-N |