methyl [7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate
Chemical Structure Depiction of
methyl [7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate
methyl [7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | 8020-4708 |
| Compound Name: | methyl [7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate |
| Molecular Weight: | 516.5 |
| Molecular Formula: | C24 H21 F N2 O8 S |
| Smiles: | COC(CN1C2=C(C(CC(N2c2ccc(cc2)F)=O)c2cc3c(c(c2OC)OC)OCO3)SC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3314 |
| logD: | 3.3314 |
| logSw: | -3.5668 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.238 |
| InChI Key: | OZXQTXZJPOTYGR-OAHLLOKOSA-N |