ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}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-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}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-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2032-0092 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 697.99 |
| Molecular Formula: | C32 H26 Br Cl N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])OCc1ccccc1[Cl])OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0127 |
| logD: | 7.0127 |
| logSw: | -6.3853 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.894 |
| InChI Key: | VXHWDCPUCRZJSU-NDEPHWFRSA-N |