3-{[4-([1,1'-biphenyl]-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-{[4-([1,1'-biphenyl]-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-{[4-([1,1'-biphenyl]-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y509-0555 |
| Compound Name: | 3-{[4-([1,1'-biphenyl]-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C27 H25 N O6 S |
| Smiles: | CCOC(c1c(csc1NC(C1C(C2CCC1O2)C(O)=O)=O)c1ccc(cc1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.655 |
| logD: | 4.1391 |
| logSw: | -5.9127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.367 |
| InChI Key: | OTJABGLNFNSTKM-UHFFFAOYSA-N |