4-[8-(hydroxymethyl)-4-oxo-1,5-diazacycloundecane-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[8-(hydroxymethyl)-4-oxo-1,5-diazacycloundecane-1-sulfonyl]benzonitrile
4-[8-(hydroxymethyl)-4-oxo-1,5-diazacycloundecane-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | S786-0262 |
| Compound Name: | 4-[8-(hydroxymethyl)-4-oxo-1,5-diazacycloundecane-1-sulfonyl]benzonitrile |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C17 H23 N3 O4 S |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1ccc(C#N)cc1)(=O)=O)=O)CO |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5462 |
| logD: | 0.5462 |
| logSw: | -2.3132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.475 |
| InChI Key: | LNASZKHNZYBJQX-HNNXBMFYSA-N |