1-(2,5-dimethoxybenzene-1-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
Chemical Structure Depiction of
1-(2,5-dimethoxybenzene-1-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
1-(2,5-dimethoxybenzene-1-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
Compound characteristics
Compound ID: | Y050-1187 |
Compound Name: | 1-(2,5-dimethoxybenzene-1-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide |
Molecular Weight: | 450.57 |
Molecular Formula: | C21 H26 N2 O5 S2 |
Smiles: | COc1ccc(c(c1)S(N1CCCC(C1)C(Nc1cccc(c1)SC)=O)(=O)=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9443 |
logD: | 2.9442 |
logSw: | -3.5862 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.148 |
InChI Key: | IIAIYZIULOHRBT-HNNXBMFYSA-N |