2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0502 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C22 H26 N4 O6 S |
| Smiles: | COc1ccc(cc1OC)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.751 |
| logD: | -0.3647 |
| logSw: | -2.6099 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.991 |
| InChI Key: | WMEJCYWVKKDEHD-UHFFFAOYSA-N |