3-(2,1,3-benzoxadiazole-4-sulfonyl)-1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(2,1,3-benzoxadiazole-4-sulfonyl)-1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-1-one
3-(2,1,3-benzoxadiazole-4-sulfonyl)-1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | C105-0399 |
| Compound Name: | 3-(2,1,3-benzoxadiazole-4-sulfonyl)-1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 525.03 |
| Molecular Formula: | C26 H25 Cl N4 O4 S |
| Smiles: | C(CS(c1cccc2c1non2)(=O)=O)C(N1CCN(CC1)C(c1ccccc1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5191 |
| logD: | 4.5181 |
| logSw: | -5.0875 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.047 |
| InChI Key: | WYLULBQYIHESHD-SANMLTNESA-N |