ethyl 2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0313 |
| Compound Name: | ethyl 2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 592.11 |
| Molecular Formula: | C31 H30 Cl N3 O5 S |
| Smiles: | CCOC(C1C(c2cc(ccc2OC)OC)N2C(=NC=1C)SC(=C/c1cc(C)n(c3ccc(cc3)[Cl])c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1783 |
| logD: | 6.1783 |
| logSw: | -6.1329 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.586 |
| InChI Key: | KBYZZFQIHNNXKZ-NDEPHWFRSA-N |