3-[(2-ethyl-6-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-[(2-ethyl-6-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-[(2-ethyl-6-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y204-2756 |
| Compound Name: | 3-[(2-ethyl-6-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 303.36 |
| Molecular Formula: | C17 H21 N O4 |
| Smiles: | CCc1cccc(C)c1NC(C1C(C2CCC1O2)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0425 |
| logD: | 1.5266 |
| logSw: | -4.0717 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.966 |
| InChI Key: | ZBZCASVMQIQUTN-UHFFFAOYSA-N |