ethyl 2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-2435 |
| Compound Name: | ethyl 2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 655.8 |
| Molecular Formula: | C34 H33 N5 O5 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)N2C(=NC=1c1ccccc1)SC(=C\c1cc(ccc1N1CCN(C)CC1)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8233 |
| logD: | 6.1365 |
| logSw: | -5.6559 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 85.987 |
| InChI Key: | NJYKFEZZSPHWIY-WJOKGBTCSA-N |