7-(azepane-1-carbonyl)-3-methyl-4-(2-methylpropyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
7-(azepane-1-carbonyl)-3-methyl-4-(2-methylpropyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
7-(azepane-1-carbonyl)-3-methyl-4-(2-methylpropyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | J049-2170 |
| Compound Name: | 7-(azepane-1-carbonyl)-3-methyl-4-(2-methylpropyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 377.5 |
| Molecular Formula: | C19 H27 N3 O3 S |
| Smiles: | CC(C)CN1C(C)=NS(c2cc(ccc12)C(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9696 |
| logD: | 2.9696 |
| logSw: | -3.4267 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.579 |
| InChI Key: | OKAGEIDLPYTXDC-UHFFFAOYSA-N |