ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 1611-4804 |
| Compound Name: | ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 541.42 |
| Molecular Formula: | C25 H21 Br N2 O5 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C\c1cc(ccc1OC(C)=O)[Br])S2)=O)C(=O)OCC)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8636 |
| logD: | 4.8636 |
| logSw: | -4.7163 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.585 |
| InChI Key: | MLEBHNZHOZEGNV-QFIPXVFZSA-N |