ethyl 2-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8010-2127 |
| Compound Name: | ethyl 2-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 651.57 |
| Molecular Formula: | C31 H30 I N3 O3 S |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)N2C(=NC=1C)SC(=C/c1cc(C)n(c3ccc(c(C)c3)I)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1963 |
| logD: | 7.1963 |
| logSw: | -5.5534 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.412 |
| InChI Key: | HCVGMIHRAXXNNP-NDEPHWFRSA-N |