5-{[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
Chemical Structure Depiction of
5-{[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
5-{[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y205-8508 |
| Compound Name: | 5-{[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid |
| Molecular Weight: | 376.52 |
| Molecular Formula: | C20 H28 N2 O3 S |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(CC(C)CC(O)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7186 |
| logD: | 1.1521 |
| logSw: | -4.1123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.543 |
| InChI Key: | SLLIMDPWZIWDTH-UHFFFAOYSA-N |