3-{[3-(ethoxycarbonyl)-4-(naphthalen-1-yl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-(ethoxycarbonyl)-4-(naphthalen-1-yl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-{[3-(ethoxycarbonyl)-4-(naphthalen-1-yl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y509-0501 |
| Compound Name: | 3-{[3-(ethoxycarbonyl)-4-(naphthalen-1-yl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 465.52 |
| Molecular Formula: | C25 H23 N O6 S |
| Smiles: | CCOC(c1c(csc1NC(C1C(C2CCC1O2)C(O)=O)=O)c1cccc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6921 |
| logD: | 3.1761 |
| logSw: | -6.4575 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.367 |
| InChI Key: | JDAGGLNVGHBHEU-UHFFFAOYSA-N |