2-(2-benzoyl-4-nitroanilino)-N,N,N-triethyl-2-oxoethan-1-aminium--bromide (1/1)
Chemical Structure Depiction of
2-(2-benzoyl-4-nitroanilino)-N,N,N-triethyl-2-oxoethan-1-aminium--bromide (1/1)
2-(2-benzoyl-4-nitroanilino)-N,N,N-triethyl-2-oxoethan-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 0450-0072 |
| Compound Name: | 2-(2-benzoyl-4-nitroanilino)-N,N,N-triethyl-2-oxoethan-1-aminium--bromide (1/1) |
| Molecular Weight: | 464.36 |
| Molecular Formula: | C21 H26 N3 O4 |
| Salt: | Br- |
| Smiles: | CC[N+](CC)(CC)CC(Nc1ccc(cc1C(c1ccccc1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4773 |
| logD: | 2.9286 |
| logSw: | -3.8882 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.521 |
| InChI Key: | DHJJBMFDBLIUBM-UHFFFAOYSA-O |