ethyl 2-({3-bromo-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-5-(4-chlorophenyl)-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-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({3-bromo-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2031-0093 |
| Compound Name: | ethyl 2-({3-bromo-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 704.04 |
| Molecular Formula: | C35 H28 Br Cl N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])OCc1cccc3ccccc13)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.1911 |
| logD: | 8.1911 |
| logSw: | -6.7181 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.507 |
| InChI Key: | JSJMSOFIDXPJEQ-HKBQPEDESA-N |