N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
Compound characteristics
| Compound ID: | 3819-1316 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C27 H32 N4 O6 S |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)S(Cc2ccccc2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4871 |
| logD: | 3.4871 |
| logSw: | -3.9665 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.824 |
| InChI Key: | WMGFGYHRAMQQGE-UHFFFAOYSA-N |