4-(4-oxo-1,5-diazacycloundecane-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
4-(4-oxo-1,5-diazacycloundecane-1-sulfonyl)benzonitrile
4-(4-oxo-1,5-diazacycloundecane-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | S782-0262 |
| Compound Name: | 4-(4-oxo-1,5-diazacycloundecane-1-sulfonyl)benzonitrile |
| Molecular Weight: | 335.42 |
| Molecular Formula: | C16 H21 N3 O3 S |
| Smiles: | C1CCCN(CCC(NCC1)=O)S(c1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3916 |
| logD: | 1.3916 |
| logSw: | -2.3224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.36 |
| InChI Key: | WCGHASJWYLJKGE-UHFFFAOYSA-N |