1-(4-methyl-3-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Chemical Structure Depiction of
1-(4-methyl-3-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
1-(4-methyl-3-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Compound characteristics
| Compound ID: | K831-0178 |
| Compound Name: | 1-(4-methyl-3-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine |
| Molecular Weight: | 465.52 |
| Molecular Formula: | C21 H27 N3 O7 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2079 |
| logD: | 3.1078 |
| logSw: | -3.5671 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.635 |
| InChI Key: | PNDMPTJOOOGJEA-UHFFFAOYSA-N |