4-({2-[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
4-({2-[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-1274 |
| Compound Name: | 4-({2-[4-(3-methoxybenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C28 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)S(c1cccc(c1)OC)(=O)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.851 |
| logD: | 3.8504 |
| logSw: | -4.0851 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.514 |
| InChI Key: | MYQUBWHTFLEKBB-NDEPHWFRSA-N |