5-(4-methoxyphenyl)-2-({4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-(4-methoxyphenyl)-2-({4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
5-(4-methoxyphenyl)-2-({4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y501-5616 |
| Compound Name: | 5-(4-methoxyphenyl)-2-({4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 689.69 |
| Molecular Formula: | C36 H27 F4 N3 O5 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)N2C(=N1)SC(=C\c1ccc(c(COc3c(c(cc(c3F)F)F)F)c1)OC)\C2=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9281 |
| logD: | 6.9274 |
| logSw: | -5.7026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.66 |
| InChI Key: | LCRHECAKDBBZFI-JGCGQSQUSA-N |