2-({3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-({3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
2-({3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y501-5588 |
| Compound Name: | 2-({3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 667.73 |
| Molecular Formula: | C37 H31 F2 N3 O5 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)N2C(=N1)SC(=C\c1ccc(c(COc3ccc(cc3F)F)c1)OC)\C2=O)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5527 |
| logD: | 6.5515 |
| logSw: | -5.6778 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.876 |
| InChI Key: | LKGQOVJRUAZMGK-UUWRZZSWSA-N |