N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 8011-1151 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C27 H32 N4 O6 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1ccc(c(c1)NCCc1ccc(c(c1)OC)OC)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.311 |
| logD: | 4.311 |
| logSw: | -4.3678 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.929 |
| InChI Key: | ZEZLSWYFJMDFKD-UHFFFAOYSA-N |