4-(azepan-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)-4-oxobutanamide
4-(azepan-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | F281-0058 |
| Compound Name: | 4-(azepan-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)-4-oxobutanamide |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | C1CCCN(CC1)C(CCC(Nc1cccc2c1nsn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1384 |
| logD: | 2.138 |
| logSw: | -2.7275 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.095 |
| InChI Key: | CEBHTIHVQAZQNT-UHFFFAOYSA-N |