propan-2-yl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
propan-2-yl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4489-5480 |
| Compound Name: | propan-2-yl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 559.66 |
| Molecular Formula: | C31 H30 F N3 O4 S |
| Smiles: | CC(C)OC(C1C(c2ccc(cc2)OC)N2C(=NC=1C)SC(=C\c1cc(C)n(c3ccc(cc3)F)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8599 |
| logD: | 5.8599 |
| logSw: | -5.587 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.635 |
| InChI Key: | VKXATEHDWXRLFD-MUUNZHRXSA-N |