5-[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Chemical Structure Depiction of
5-[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
5-[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Compound characteristics
| Compound ID: | 8012-8463 |
| Compound Name: | 5-[4-(3,4-dimethoxybenzene-1-sulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline |
| Molecular Weight: | 586.66 |
| Molecular Formula: | C28 H34 N4 O8 S |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)S(c2ccc(c(c2)OC)OC)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4939 |
| logD: | 3.4939 |
| logSw: | -4.1207 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.19 |
| InChI Key: | MJRCBUQDBXADQC-UHFFFAOYSA-N |