methyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2388-1064 |
| Compound Name: | methyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 533.42 |
| Molecular Formula: | C22 H17 Br N2 O5 S2 |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C/c1cc(ccc1OC(C)=O)[Br])S2)=O)C(=O)OC)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.043 |
| logD: | 4.043 |
| logSw: | -4.3156 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.024 |
| InChI Key: | PDQQJYIAXYVVNB-IBGZPJMESA-N |