4-[2-(4-chlorophenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[2-(4-chlorophenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
4-[2-(4-chlorophenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | J005-0413 |
| Compound Name: | 4-[2-(4-chlorophenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole |
| Molecular Weight: | 407.94 |
| Molecular Formula: | C18 H18 Cl N3 O2 S2 |
| Smiles: | C1CCC(c2ccc(cc2)[Cl])N(CC1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9218 |
| logD: | 4.9218 |
| logSw: | -5.315 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.432 |
| InChI Key: | PCOOWXMTLNFHBZ-INIZCTEOSA-N |