ethyl 5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2031-0078 |
| Compound Name: | ethyl 5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 564.02 |
| Molecular Formula: | C28 H22 Cl N3 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])N2C(=NC=1C)SC(=C/c1ccc(c3ccc(C)cc3[N+]([O-])=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4486 |
| logD: | 6.4486 |
| logSw: | -6.2493 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.398 |
| InChI Key: | CTDROEJVRXENLT-VWLOTQADSA-N |