3-[8-(benzenesulfonyl)-5-oxo-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[8-(benzenesulfonyl)-5-oxo-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile
3-[8-(benzenesulfonyl)-5-oxo-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S764-1008 |
| Compound Name: | 3-[8-(benzenesulfonyl)-5-oxo-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Smiles: | C1CN(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6974 |
| logD: | 0.6974 |
| logSw: | -2.3786 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.816 |
| InChI Key: | WELXIAAPJJBPTC-UHFFFAOYSA-N |