ethyl 2-({4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-5-(2-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-5-(2-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-5-(2-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8009-8492 |
| Compound Name: | ethyl 2-({4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-5-(2-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 783.64 |
| Molecular Formula: | C38 H30 I N3 O6 S |
| Smiles: | CCOC(C1C(c2ccccc2OC)N2C(=NC=1c1ccccc1)SC(=C\c1cc(c(c(c1)I)OCc1ccccc1C#N)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.1817 |
| logD: | 8.1816 |
| logSw: | -5.7733 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.695 |
| InChI Key: | RUXHNBATWUZMEU-UMSFTDKQSA-N |