ethyl 2-{[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,7-dimethoxynaphthalen-1-yl)-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-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,7-dimethoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,7-dimethoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3184-1275 |
| Compound Name: | ethyl 2-{[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,7-dimethoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 666.82 |
| Molecular Formula: | C36 H34 N4 O5 S2 |
| Smiles: | CCOC(C1C(c2c(ccc3ccc(cc23)OC)OC)N2C(=NC=1C)SC(=C/c1cc(C)n(c1C)c1c(C#N)c(C)c(C)s1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.014 |
| logD: | 7.014 |
| logSw: | -6.1739 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.44 |
| InChI Key: | IBPCDTXODGFPRU-JGCGQSQUSA-N |