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 |