ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2032-0075 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 594 |
| Molecular Formula: | C28 H20 Cl N3 O8 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1ccc(c3ccc(c(c3)[N+]([O-])=O)[Cl])o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8762 |
| logD: | 5.8761 |
| logSw: | -6.113 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.513 |
| InChI Key: | UMBHUMRIXJQVKE-VWLOTQADSA-N |