methyl 2-[2-(3-methyl-5-oxo-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(3-methyl-5-oxo-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl)acetamido]benzoate
methyl 2-[2-(3-methyl-5-oxo-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | G279-0056 |
| Compound Name: | methyl 2-[2-(3-methyl-5-oxo-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl)acetamido]benzoate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | Cc1c2c(n(c3ccccc3)n1)SCC(N2CC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6354 |
| logD: | 2.6057 |
| logSw: | -3.2856 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.193 |
| InChI Key: | WRRCXANPSWMQFT-UHFFFAOYSA-N |