3-(azepane-1-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
3-(azepane-1-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0951 |
| Compound Name: | 3-(azepane-1-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C18 H21 N3 O5 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5144 |
| logD: | 2.5144 |
| logSw: | -2.829 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.322 |
| InChI Key: | WRXDKWWDFFGECQ-UHFFFAOYSA-N |