ethyl 2-({3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2030-0091 |
| Compound Name: | ethyl 2-({3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 697.05 |
| Molecular Formula: | C33 H31 Br Cl N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)N(C)C)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])OCc1ccc(cc1)[Cl])OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2618 |
| logD: | 7.2475 |
| logSw: | -6.5143 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.583 |
| InChI Key: | DUFBWWIEBHYTLF-LJAQVGFWSA-N |