ethyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3'-methoxy-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3'-methoxy-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
ethyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3'-methoxy-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Compound characteristics
| Compound ID: | 8014-9748 |
| Compound Name: | ethyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3'-methoxy-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C25 H26 N2 O4 S |
| Smiles: | CCOC(C1C(CC(=CC1=O)Nc1c(C#N)c2CCCCc2s1)c1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7583 |
| logD: | 0.4349 |
| logSw: | -4.544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.961 |
| InChI Key: | IYXTTZOYQDXORX-UHFFFAOYSA-N |