4-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-sulfonyl]benzonitrile
4-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-sulfonyl]benzonitrile
Compound characteristics
Compound ID: | S790-0283 |
Compound Name: | 4-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-sulfonyl]benzonitrile |
Molecular Weight: | 446.57 |
Molecular Formula: | C22 H30 N4 O4 S |
Smiles: | C1CCCN(CCC(NCC1)=O)C(C1CCN(CC1)S(c1ccc(C#N)cc1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.2767 |
logD: | 1.2767 |
logSw: | -2.3874 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 91.008 |
InChI Key: | FWDVCOQMBQLLJF-UHFFFAOYSA-N |