N-benzyl-2-{2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}acetamide
N-benzyl-2-{2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}acetamide
Compound characteristics
| Compound ID: | K261-3074 |
| Compound Name: | N-benzyl-2-{2-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}acetamide |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C23 H21 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)N1C(N(CC(NCc2ccccc2)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.645 |
| logD: | 3.645 |
| logSw: | -3.9475 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.214 |
| InChI Key: | JNGKZUURKUTMCU-UHFFFAOYSA-N |