{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy}acetic acid
Chemical Structure Depiction of
{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy}acetic acid
{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy}acetic acid
Compound characteristics
| Compound ID: | Y205-5069 |
| Compound Name: | {2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy}acetic acid |
| Molecular Weight: | 294.33 |
| Molecular Formula: | C13 H14 N2 O4 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(COCC(O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.204 |
| logD: | -2.3256 |
| logSw: | -1.8004 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.977 |
| InChI Key: | CYYBDGCVYCJNTM-UHFFFAOYSA-N |