3-[(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}thiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-[(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}thiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-[(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}thiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-5964 |
| Compound Name: | 3-[(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}thiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C21 H20 N2 O7 S |
| Smiles: | C1CC2C(C(C1O2)C(O)=O)C(Nc1c(ccs1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6956 |
| logD: | 1.1797 |
| logSw: | -4.0118 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.685 |
| InChI Key: | VAWQIHGWOSEKLB-UHFFFAOYSA-N |