N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzene-1-sulfonamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y501-5968 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C21 H24 N4 O6 S |
| Smiles: | Cn1cc(CN(CCc2ccc(c(c2)OC)OC)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.3749 |
| logD: | 2.3749 |
| logSw: | -2.6903 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.772 |
| InChI Key: | PHMABGBWLIZOSU-UHFFFAOYSA-N |