3,4-dimethylcyclohexyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
3,4-dimethylcyclohexyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate
3,4-dimethylcyclohexyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 5540-0129 |
| Compound Name: | 3,4-dimethylcyclohexyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C21 H28 N2 O3 S |
| Smiles: | CC1CCC(CC1C)OC(CCC(Nc1c(C#N)c2CCCCc2s1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8889 |
| logD: | 2.5065 |
| logSw: | -4.1279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.648 |
| InChI Key: | KEWYFLSUSVFMGN-UHFFFAOYSA-N |