N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | C548-3484 |
| Compound Name: | N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 436.59 |
| Molecular Formula: | C20 H28 N4 O3 S2 |
| Smiles: | C1CCCN(CC1)C(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.972 |
| logD: | 3.9704 |
| logSw: | -4.0904 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.121 |
| InChI Key: | DGVQASFFGZGFPI-UHFFFAOYSA-N |