3-{4-[5-(4-benzylpiperidine-1-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[5-(4-benzylpiperidine-1-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile
3-{4-[5-(4-benzylpiperidine-1-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V006-1639 |
| Compound Name: | 3-{4-[5-(4-benzylpiperidine-1-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 558.7 |
| Molecular Formula: | C31 H34 N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(c1cccc(C#N)c1)=O)S(N1CCC(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9163 |
| logD: | 4.9163 |
| logSw: | -4.86 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.972 |
| InChI Key: | IJDNGACMVFOHQU-UHFFFAOYSA-N |