1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
Chemical Structure Depiction of
1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
Compound characteristics
| Compound ID: | E882-1319 |
| Compound Name: | 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C20 H29 N5 O5 S2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(Cn1cc(c(c1)S(NC)(=O)=O)S(NC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9452 |
| logD: | 0.9451 |
| logSw: | -2.3821 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.487 |
| InChI Key: | MLYPPKABIOAIKV-UHFFFAOYSA-N |