methyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
methyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Compound characteristics
| Compound ID: | 8014-9732 |
| Compound Name: | methyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C23 H22 N2 O3 S |
| Smiles: | COC(C1C(CC(=CC1=O)Nc1c(C#N)c2CCCCc2s1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3999 |
| logD: | 0.0765 |
| logSw: | -4.5328 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.838 |
| InChI Key: | GIAFOBGYEXCECD-UHFFFAOYSA-N |