methyl [4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-6-oxo-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetate
Chemical Structure Depiction of
methyl [4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-6-oxo-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetate
methyl [4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-6-oxo-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetate
Compound characteristics
| Compound ID: | 8020-7153 |
| Compound Name: | methyl [4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-6-oxo-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetate |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C22 H22 N4 O7 S |
| Smiles: | CC(C)n1c2c(cn1)c(c1cc(c3c(c1OC)OCO3)OC)c1c(n2)N(CC(=O)OC)C(=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6433 |
| logD: | 3.6433 |
| logSw: | -4.1092 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.151 |
| InChI Key: | RVAPLVRIZBUUTM-UHFFFAOYSA-N |