5-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxopentanoic acid
Chemical Structure Depiction of
5-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxopentanoic acid
5-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y205-8469 |
| Compound Name: | 5-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxopentanoic acid |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C17 H22 N2 O3 S |
| Smiles: | CCC1CCc2c(C#N)c(NC(CC(C)CC(O)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2323 |
| logD: | 0.6658 |
| logSw: | -3.6262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.543 |
| InChI Key: | FXVGQYVZVJIZNY-UHFFFAOYSA-N |