ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]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-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]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-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0629 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 628.54 |
| Molecular Formula: | C29 H30 Br N3 O6 S |
| Smiles: | CCN(CC)c1cc(c(/C=C2/C(N3C(C(=C(C)N=C3S2)C(=O)OCC)c2ccc3c(c2)OCO3)=O)cc1[Br])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0739 |
| logD: | 6.0738 |
| logSw: | -5.5993 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.928 |
| InChI Key: | LLGMWSAJYZKZLM-SANMLTNESA-N |