ethyl 2-{[6-(ethoxycarbonyl)-3'-methoxy-5-oxo-1,2,5,6-tetrahydro[1,1'-biphenyl]-3-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[6-(ethoxycarbonyl)-3'-methoxy-5-oxo-1,2,5,6-tetrahydro[1,1'-biphenyl]-3-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[6-(ethoxycarbonyl)-3'-methoxy-5-oxo-1,2,5,6-tetrahydro[1,1'-biphenyl]-3-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8014-9733 |
| Compound Name: | ethyl 2-{[6-(ethoxycarbonyl)-3'-methoxy-5-oxo-1,2,5,6-tetrahydro[1,1'-biphenyl]-3-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C27 H31 N O6 S |
| Smiles: | CCOC(C1C(CC(=CC1=O)Nc1c(C(=O)OCC)c2CCCCc2s1)c1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2207 |
| logD: | -0.1328 |
| logSw: | -5.048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.659 |
| InChI Key: | HOTIJCFGISSPOB-UHFFFAOYSA-N |