N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]aniline
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]aniline
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]aniline
Compound characteristics
| Compound ID: | 8011-1152 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]aniline |
| Molecular Weight: | 571.61 |
| Molecular Formula: | C26 H29 N5 O8 S |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)S(c2cccc(c2)[N+]([O-])=O)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.748 |
| logD: | 3.748 |
| logSw: | -4.1422 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.311 |
| InChI Key: | ZLDCPRHREMWQAS-UHFFFAOYSA-N |