4-[8-(benzenesulfonyl)-5-oxo-1,4,8-triazacycloundecane-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[8-(benzenesulfonyl)-5-oxo-1,4,8-triazacycloundecane-1-sulfonyl]benzonitrile
4-[8-(benzenesulfonyl)-5-oxo-1,4,8-triazacycloundecane-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | S764-1248 |
| Compound Name: | 4-[8-(benzenesulfonyl)-5-oxo-1,4,8-triazacycloundecane-1-sulfonyl]benzonitrile |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C21 H24 N4 O5 S2 |
| Smiles: | C1CN(CCC(NCCN(C1)S(c1ccc(C#N)cc1)(=O)=O)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1447 |
| logD: | 1.1447 |
| logSw: | -2.4004 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.879 |
| InChI Key: | NFHOQLAWCGWIGZ-UHFFFAOYSA-N |