propan-2-yl [3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate
Chemical Structure Depiction of
propan-2-yl [3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate
propan-2-yl [3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate
Compound characteristics
| Compound ID: | M786-3436 |
| Compound Name: | propan-2-yl [3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetate |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H27 N3 O5 S |
| Smiles: | CC(C)OC(CN1c2cc(C)ccc2S(C(C(N2CCCCCC2)=O)=N1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5171 |
| logD: | 2.5171 |
| logSw: | -2.7823 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.778 |
| InChI Key: | POLNBJDOICQOLR-UHFFFAOYSA-N |