ethyl 2-[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]butanoate
Chemical Structure Depiction of
ethyl 2-[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]butanoate
ethyl 2-[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]butanoate
Compound characteristics
| Compound ID: | M786-3287 |
| Compound Name: | ethyl 2-[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]butanoate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C19 H25 N3 O5 S |
| Smiles: | CCC(C(=O)OCC)N1c2cc(C)ccc2S(C(C(N2CCCC2)=O)=N1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8389 |
| logD: | 2.8389 |
| logSw: | -3.3293 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.847 |
| InChI Key: | KBALKPABOIFHKS-AWEZNQCLSA-N |