2-benzyl-4-(4-nitroanilino)-4-oxobutanoic acid
Chemical Structure Depiction of
2-benzyl-4-(4-nitroanilino)-4-oxobutanoic acid
2-benzyl-4-(4-nitroanilino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 2808-0761 |
| Compound Name: | 2-benzyl-4-(4-nitroanilino)-4-oxobutanoic acid |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | C(C(Cc1ccccc1)C(O)=O)C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8241 |
| logD: | 0.1699 |
| logSw: | -3.3528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.906 |
| InChI Key: | SZMJJXCSDFKLAQ-CYBMUJFWSA-N |