1-(2-methyl-5-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Chemical Structure Depiction of
1-(2-methyl-5-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
1-(2-methyl-5-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Compound characteristics
| Compound ID: | K831-0190 |
| Compound Name: | 1-(2-methyl-5-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine |
| Molecular Weight: | 465.52 |
| Molecular Formula: | C21 H27 N3 O7 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9672 |
| logD: | 2.8671 |
| logSw: | -3.2887 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.936 |
| InChI Key: | XHMNODOUIZQLLP-UHFFFAOYSA-N |