3-[(2-methyl-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(2-methyl-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-[(2-methyl-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-1907 |
| Compound Name: | 3-[(2-methyl-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 316.31 |
| Molecular Formula: | C16 H16 N2 O5 |
| Smiles: | Cc1ccc(cc1NC(C1C2CC(C=C2)C1C(O)=O)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2367 |
| logD: | -0.0885 |
| logSw: | -2.6807 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.266 |
| InChI Key: | SWWHVVWCZKZCHG-UHFFFAOYSA-N |