4-({2-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
4-({2-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-2045 |
| Compound Name: | 4-({2-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile |
| Molecular Weight: | 526.05 |
| Molecular Formula: | C27 H28 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4661 |
| logD: | 4.4654 |
| logSw: | -4.7282 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.97 |
| InChI Key: | RRGRWJJCDGVMOY-MHZLTWQESA-N |