ethyl 2-{[4-(cyanomethoxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-(cyanomethoxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(cyanomethoxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3977-0329 |
| Compound Name: | ethyl 2-{[4-(cyanomethoxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1C)SC(=C/c1ccc(cc1)OCC#N)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.821 |
| logD: | 3.821 |
| logSw: | -3.8413 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.657 |
| InChI Key: | KHZKOAZLLALMEI-JOCHJYFZSA-N |