1-{[4-(3-chloro-4-methylphenyl)piperazine-1-sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Chemical Structure Depiction of
1-{[4-(3-chloro-4-methylphenyl)piperazine-1-sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one
1-{[4-(3-chloro-4-methylphenyl)piperazine-1-sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Compound characteristics
| Compound ID: | 8017-3449 |
| Compound Name: | 1-{[4-(3-chloro-4-methylphenyl)piperazine-1-sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one |
| Molecular Weight: | 424.99 |
| Molecular Formula: | C21 H29 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])N1CCN(CC1)S(CC12CCC(CC1=O)C2(C)C)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4241 |
| logD: | 4.4241 |
| logSw: | -4.5363 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.197 |
| InChI Key: | IQDOZLCPRLZJSR-UHFFFAOYSA-N |