methyl 4-methoxy-3-({2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-methoxy-3-({2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzoate
methyl 4-methoxy-3-({2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzoate
Compound characteristics
| Compound ID: | K261-2924 |
| Compound Name: | methyl 4-methoxy-3-({2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzoate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C24 H22 N2 O6 S2 |
| Smiles: | COC(c1ccc(c(CN2C(N(c3cccc(c3)SC)S(c3ccccc23)(=O)=O)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6906 |
| logD: | 4.6906 |
| logSw: | -4.4998 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.547 |
| InChI Key: | RQIAUJYYASVQFO-UHFFFAOYSA-N |