ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]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-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]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-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3270-0649 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 629.65 |
| Molecular Formula: | C32 H27 N3 O9 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1cc(c(cc1[N+]([O-])=O)OCc1ccccc1)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2211 |
| logD: | 5.2211 |
| logSw: | -5.2092 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 110.888 |
| InChI Key: | SUAJDYRLZGWINA-GDLZYMKVSA-N |