ethyl 2-[3-(azepane-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]butanoate
Chemical Structure Depiction of
ethyl 2-[3-(azepane-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]butanoate
ethyl 2-[3-(azepane-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]butanoate
Compound characteristics
| Compound ID: | M786-3091 |
| Compound Name: | ethyl 2-[3-(azepane-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]butanoate |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H27 N3 O5 S |
| Smiles: | CCC(C(=O)OCC)N1c2ccccc2S(C(C(N2CCCCCC2)=O)=N1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0051 |
| logD: | 3.0051 |
| logSw: | -3.4212 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.812 |
| InChI Key: | KPWNALZSDKQTLH-HNNXBMFYSA-N |