ethyl 7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-2439 |
| Compound Name: | ethyl 7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 593.72 |
| Molecular Formula: | C29 H31 N5 O5 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)N2C(=NC=1C)SC(=C\c1cc(ccc1N1CCN(C)CC1)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1757 |
| logD: | 4.4889 |
| logSw: | -5.1671 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 85.757 |
| InChI Key: | OZYOCIYQLMGCRC-AREMUKBSSA-N |