ethyl 2-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4215-0015 |
| Compound Name: | ethyl 2-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 569.72 |
| Molecular Formula: | C33 H35 N3 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OCC)N2C(=NC=1C)SC(=C/c1cc(C)n(c3c(C)cccc3C)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.456 |
| logD: | 6.456 |
| logSw: | -5.7021 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.934 |
| InChI Key: | ZFVWXMACRMEQBQ-SSEXGKCCSA-N |