N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~2~-(2-hydroxyethyl)ethanediamide
Chemical Structure Depiction of
N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~2~-(2-hydroxyethyl)ethanediamide
N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~2~-(2-hydroxyethyl)ethanediamide
Compound characteristics
Compound ID: | 8019-5960 |
Compound Name: | N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~2~-(2-hydroxyethyl)ethanediamide |
Molecular Weight: | 307.37 |
Molecular Formula: | C14 H17 N3 O3 S |
Smiles: | CC1CCc2c(C#N)c(NC(C(NCCO)=O)=O)sc2C1 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.0625 |
logD: | -4.7332 |
logSw: | -2.0116 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 81.554 |
InChI Key: | RHEOIGQWKYOKJC-MRVPVSSYSA-N |