3-{[(thiophen-2-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[(thiophen-2-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{[(thiophen-2-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-0086 |
| Compound Name: | 3-{[(thiophen-2-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 279.31 |
| Molecular Formula: | C13 H13 N O4 S |
| Smiles: | C(c1cccs1)NC(C1C(C2C=CC1O2)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8031 |
| logD: | -1.4183 |
| logSw: | -1.8446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.702 |
| InChI Key: | QYLRKLRVQQRJDU-UHFFFAOYSA-N |