methyl 2-[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]propanoate
Chemical Structure Depiction of
methyl 2-[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]propanoate
methyl 2-[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]propanoate
Compound characteristics
| Compound ID: | M786-3437 |
| Compound Name: | methyl 2-[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]propanoate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C19 H25 N3 O5 S |
| Smiles: | CC(C(=O)OC)N1c2cc(C)ccc2S(C(C(N2CCCCCC2)=O)=N1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4429 |
| logD: | 2.4429 |
| logSw: | -2.7206 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.647 |
| InChI Key: | HUPWNRBDFXSCJJ-AWEZNQCLSA-N |