4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)-N,N-dimethylpiperazine-1-sulfonamide
Chemical Structure Depiction of
4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)-N,N-dimethylpiperazine-1-sulfonamide
4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)-N,N-dimethylpiperazine-1-sulfonamide
Compound characteristics
| Compound ID: | 8010-6595 |
| Compound Name: | 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)-N,N-dimethylpiperazine-1-sulfonamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C22 H31 N5 O6 S |
| Smiles: | CN(C)S(N1CCN(CC1)c1ccc(c(c1)NCCc1ccc(c(c1)OC)OC)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1221 |
| logD: | 2.1221 |
| logSw: | -2.9911 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.288 |
| InChI Key: | GDISEYPTUOFNQX-UHFFFAOYSA-N |