ethyl 2-({1-[3-(methoxycarbonyl)phenyl]-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
ethyl 2-({1-[3-(methoxycarbonyl)phenyl]-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
ethyl 2-({1-[3-(methoxycarbonyl)phenyl]-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: | 3871-0592 |
| Compound Name: | ethyl 2-({1-[3-(methoxycarbonyl)phenyl]-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: | 585.68 |
| Molecular Formula: | C32 H31 N3 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)N2C(=NC=1C)SC(=C\c1cc(C)n(c3cccc(c3)C(=O)OC)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4394 |
| logD: | 5.4394 |
| logSw: | -5.5038 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.13 |
| InChI Key: | HAPKCIXXSVAWOS-MUUNZHRXSA-N |