ethyl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0280 |
| Compound Name: | ethyl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 561.7 |
| Molecular Formula: | C30 H28 F N3 O3 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)N2C(=NC=1C)SC(=C/c1cc(C)n(c3ccc(cc3)F)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1514 |
| logD: | 6.1514 |
| logSw: | -5.5279 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.412 |
| InChI Key: | VQRMSPYZOBJZJS-HHHXNRCGSA-N |