ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({3-iodo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({3-iodo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({3-iodo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0583 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-({3-iodo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 660.48 |
| Molecular Formula: | C28 H25 I N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)I)OCC=C)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8356 |
| logD: | 5.8356 |
| logSw: | -5.5894 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.084 |
| InChI Key: | PKZLYIGHESPTFS-DEOSSOPVSA-N |