ethyl 2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-2395 |
| Compound Name: | ethyl 2-[(2-hydroxy-5-nitrophenyl)methylidene]-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 511.57 |
| Molecular Formula: | C24 H21 N3 O6 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)N2C(=NC=1C)SC(=C\c1cc(ccc1O)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0259 |
| logD: | 3.3608 |
| logSw: | -4.3756 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.677 |
| InChI Key: | HRMCJRHHJWUSRI-OAQYLSRUSA-N |