5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Chemical Structure Depiction of
5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Compound characteristics
| Compound ID: | 4169-2571 |
| Compound Name: | 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline |
| Molecular Weight: | 526.61 |
| Molecular Formula: | C26 H30 N4 O6 S |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)S(c2ccccc2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7026 |
| logD: | 3.7026 |
| logSw: | -4.0763 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.929 |
| InChI Key: | OBEVQNMIVJQBHG-UHFFFAOYSA-N |