ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-{[5-(3-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-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2032-0068 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 559.55 |
| Molecular Formula: | C28 H21 N3 O8 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1ccc(c3cccc(c3)[N+]([O-])=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6069 |
| logD: | 5.6069 |
| logSw: | -5.5465 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.814 |
| InChI Key: | XYVGGXXFOCKMCR-RUZDIDTESA-N |