N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,4,5-triethoxybenzamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,4,5-triethoxybenzamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,4,5-triethoxybenzamide
Compound characteristics
Compound ID: | 3365-1258 |
Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,4,5-triethoxybenzamide |
Molecular Weight: | 428.55 |
Molecular Formula: | C23 H28 N2 O4 S |
Smiles: | CCOc1cc(cc(c1OCC)OCC)C(Nc1c(C#N)c2CCCCCc2s1)=O |
Stereo: | ACHIRAL |
logP: | 4.9127 |
logD: | 3.7933 |
logSw: | -4.5096 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.149 |
InChI Key: | MLGUVBBCZOZULH-UHFFFAOYSA-N |