ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]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-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]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-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8009-0631 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 681.55 |
| Molecular Formula: | C31 H28 I N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C\c1cc(C)n(c3ccc(c(C)c3)I)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7337 |
| logD: | 6.7337 |
| logSw: | -5.6792 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.528 |
| InChI Key: | VFBAONUWCDAPNR-NDEPHWFRSA-N |