N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-triethoxybenzamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-triethoxybenzamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4,5-triethoxybenzamide
Compound characteristics
| Compound ID: | 2043-1792 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-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)c2CCC(C)Cc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8507 |
| logD: | 3.7313 |
| logSw: | -4.5952 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.818 |
| InChI Key: | ICSJIABNFIJZDY-CQSZACIVSA-N |