{2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy}acetic acid
Chemical Structure Depiction of
{2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy}acetic acid
{2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy}acetic acid
Compound characteristics
| Compound ID: | Y205-8471 |
| Compound Name: | {2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy}acetic acid |
| Molecular Weight: | 350.43 |
| Molecular Formula: | C17 H22 N2 O4 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(COCC(O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7612 |
| logD: | -0.7684 |
| logSw: | -2.9697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.977 |
| InChI Key: | ACHPLJCTRGJGJD-SNVBAGLBSA-N |