4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y203-7786 |
| Compound Name: | 4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C15 H18 N2 O3 S |
| Smiles: | CCC1CCc2c(C#N)c(NC(CCC(O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3985 |
| logD: | -0.5509 |
| logSw: | -2.5945 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.543 |
| InChI Key: | YTXCOFDSTCZBBT-SECBINFHSA-N |