1-(3-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Chemical Structure Depiction of
1-(3-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
1-(3-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Compound characteristics
| Compound ID: | K831-0191 |
| Compound Name: | 1-(3-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C20 H25 N3 O7 S |
| Smiles: | COc1ccc(CN2CCN(CC2)S(c2cccc(c2)[N+]([O-])=O)(=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4979 |
| logD: | 2.3978 |
| logSw: | -2.8517 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.936 |
| InChI Key: | FAFUEGXICXSUOL-UHFFFAOYSA-N |