1-[2-(azepan-1-yl)-2-oxoethyl]-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
Chemical Structure Depiction of
1-[2-(azepan-1-yl)-2-oxoethyl]-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
1-[2-(azepan-1-yl)-2-oxoethyl]-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
Compound characteristics
| Compound ID: | E882-1298 |
| Compound Name: | 1-[2-(azepan-1-yl)-2-oxoethyl]-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide |
| Molecular Weight: | 392.49 |
| Molecular Formula: | C14 H24 N4 O5 S2 |
| Smiles: | CNS(c1cn(CC(N2CCCCCC2)=O)cc1S(NC)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3521 |
| logD: | -0.3522 |
| logSw: | -1.8299 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.859 |
| InChI Key: | BNEDJVFCJPVJEI-UHFFFAOYSA-N |