ethyl 2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-2383 |
| Compound Name: | ethyl 2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 560.6 |
| Molecular Formula: | C29 H25 F N4 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)N2C(=NC=1C)SC(=C\c1cc(C)n(c3ccc(cc3)[N+]([O-])=O)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3578 |
| logD: | 5.3578 |
| logSw: | -5.3893 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.794 |
| InChI Key: | KUHFCAWQBHBJBK-AREMUKBSSA-N |