ethyl 2-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8007-7834 |
| Compound Name: | ethyl 2-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 549.99 |
| Molecular Formula: | C27 H20 Cl N3 O6 S |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1C)SC(=C\c1ccc(c3ccc(cc3[N+]([O-])=O)[Cl])o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9828 |
| logD: | 5.9828 |
| logSw: | -5.9493 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.398 |
| InChI Key: | MSFRZACJETWNND-DEOSSOPVSA-N |