methyl [3-(azepane-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate
Chemical Structure Depiction of
methyl [3-(azepane-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate
methyl [3-(azepane-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate
Compound characteristics
| Compound ID: | M786-3087 |
| Compound Name: | methyl [3-(azepane-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C17 H21 N3 O5 S |
| Smiles: | COC(CN1c2ccccc2S(C(C(N2CCCCCC2)=O)=N1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1559 |
| logD: | 1.1559 |
| logSw: | -2.2453 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.519 |
| InChI Key: | IVTIMPAORPPQSA-UHFFFAOYSA-N |