1-(4-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(4-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine--hydrogen chloride (1/1)
1-(4-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K831-0192 |
| Compound Name: | 1-(4-nitrobenzene-1-sulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine--hydrogen chloride (1/1) |
| Molecular Weight: | 487.96 |
| Molecular Formula: | C20 H25 N3 O7 S |
| Salt: | HCl |
| Smiles: | COc1ccc(CN2CCN(CC2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5632 |
| logD: | 2.4631 |
| logSw: | -2.7956 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.936 |
| InChI Key: | SOZBJTJEGMTZJK-UHFFFAOYSA-N |