ethyl 2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 1933-0072 |
| Compound Name: | ethyl 2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 593.06 |
| Molecular Formula: | C29 H25 Cl N4 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)N(C)C)N2C(=NC=1C)SC(=C\c1ccc(c3cc(ccc3[Cl])[N+]([O-])=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2348 |
| logD: | 6.2205 |
| logSw: | -6.1862 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.503 |
| InChI Key: | XIDJFLBGGDBTLE-SANMLTNESA-N |