3-{[4-(4-tert-butylphenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-{[4-(4-tert-butylphenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-{[4-(4-tert-butylphenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y509-0554 |
| Compound Name: | 3-{[4-(4-tert-butylphenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C24 H27 N O6 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1csc(c1C(=O)OC)NC(C1C(C2CCC1O2)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3484 |
| logD: | 3.8325 |
| logSw: | -5.7147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.059 |
| InChI Key: | IYXYYOXLKGNVGP-UHFFFAOYSA-N |