methyl [4-(3-chlorophenyl)-7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate
Chemical Structure Depiction of
methyl [4-(3-chlorophenyl)-7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate
methyl [4-(3-chlorophenyl)-7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | 8020-4713 |
| Compound Name: | methyl [4-(3-chlorophenyl)-7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate |
| Molecular Weight: | 532.96 |
| Molecular Formula: | C24 H21 Cl N2 O8 S |
| Smiles: | COC(CN1C2=C(C(CC(N2c2cccc(c2)[Cl])=O)c2cc(c3c(c2OC)OCO3)OC)SC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6957 |
| logD: | 3.6957 |
| logSw: | -4.1151 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.836 |
| InChI Key: | PBLFYYNPVUCEQE-HNNXBMFYSA-N |