N-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)azepane-1-carboxamide
N-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)azepane-1-carboxamide
Compound characteristics
Compound ID: | D469-0122 |
Compound Name: | N-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)azepane-1-carboxamide |
Molecular Weight: | 337.46 |
Molecular Formula: | C21 H27 N3 O |
Smiles: | CCC1(C)Cc2ccccc2C(=C1C#N)NC(N1CCCCCC1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5021 |
logD: | 4.4646 |
logSw: | -4.2005 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.214 |
InChI Key: | CPGRZUSIESHJIT-NRFANRHFSA-N |