4-({2-[4-(3-chloro-2-fluorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(3-chloro-2-fluorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
4-({2-[4-(3-chloro-2-fluorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V009-6691 |
| Compound Name: | 4-({2-[4-(3-chloro-2-fluorobenzene-1-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile |
| Molecular Weight: | 544.04 |
| Molecular Formula: | C27 H27 Cl F N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)S(c1cccc(c1F)[Cl])(=O)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4472 |
| logD: | 4.4466 |
| logSw: | -4.649 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.97 |
| InChI Key: | ZXOWCFFUHCGIIA-VWLOTQADSA-N |