N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperazin-1-yl)aniline--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperazin-1-yl)aniline--hydrogen chloride (1/1)
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperazin-1-yl)aniline--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-6467 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperazin-1-yl)aniline--hydrogen chloride (1/1) |
| Molecular Weight: | 422.91 |
| Molecular Formula: | C20 H26 N4 O4 |
| Salt: | HCl |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCNCC2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1175 |
| logD: | 0.7913 |
| logSw: | -2.7339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.371 |
| InChI Key: | FNPQQLNNZBRUCA-UHFFFAOYSA-N |