2-{[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-{[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
Compound ID: | 8016-8328 |
Compound Name: | 2-{[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
Molecular Weight: | 330.41 |
Molecular Formula: | C16 H18 N4 O2 S |
Smiles: | C1CCc2cc(C#N)c(nc2CC1)SCC(N1CCNC1=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2824 |
logD: | 2.2824 |
logSw: | -2.8002 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.48 |
InChI Key: | KVPDNDVNOCMOKS-UHFFFAOYSA-N |