4,4'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]di(pyrrolidin-2-one)
Chemical Structure Depiction of
4,4'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]di(pyrrolidin-2-one)
4,4'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]di(pyrrolidin-2-one)
Compound characteristics
| Compound ID: | 8017-3882 |
| Compound Name: | 4,4'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]di(pyrrolidin-2-one) |
| Molecular Weight: | 546.66 |
| Molecular Formula: | C25 H30 N4 O6 S2 |
| Smiles: | C1CN(CCN(C1)S(c1ccc(cc1)C1CC(NC1)=O)(=O)=O)S(c1ccc(cc1)C1CC(NC1)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4911 |
| logD: | 1.491 |
| logSw: | -2.5492 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.282 |
| InChI Key: | IYHIBZZZQYNQNT-UHFFFAOYSA-N |