3-[(2-bromo-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-[(2-bromo-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-[(2-bromo-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-9770 |
| Compound Name: | 3-[(2-bromo-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 354.2 |
| Molecular Formula: | C15 H16 Br N O4 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(C1C(C2CCC1O2)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2632 |
| logD: | 1.7472 |
| logSw: | -4.2577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.664 |
| InChI Key: | NLDSSGYILWJOCN-UHFFFAOYSA-N |