ethyl [3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate
Chemical Structure Depiction of
ethyl [3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate
ethyl [3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate
Compound characteristics
| Compound ID: | M786-3435 |
| Compound Name: | ethyl [3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C19 H25 N3 O5 S |
| Smiles: | CCOC(CN1c2cc(C)ccc2S(C(C(N2CCCCCC2)=O)=N1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3076 |
| logD: | 2.3076 |
| logSw: | -2.7394 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.099 |
| InChI Key: | BPNVSZIRELUNOI-UHFFFAOYSA-N |