ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-2428 |
| Compound Name: | ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 686.58 |
| Molecular Formula: | C30 H32 Br N5 O7 S |
| Smiles: | CCOC(C1C(c2cc(c(cc2[Br])OC)OC)N2C(=NC=1C)SC(=C\c1cc(ccc1N1CCN(C)CC1)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5258 |
| logD: | 3.839 |
| logSw: | -4.4291 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 101.018 |
| InChI Key: | GTELUAKDXTWIIO-MHZLTWQESA-N |