2-(2-benzoyl-4-nitroanilino)-N,N,N-trimethyl-2-oxoethan-1-aminium--bromide (1/1)
Chemical Structure Depiction of
2-(2-benzoyl-4-nitroanilino)-N,N,N-trimethyl-2-oxoethan-1-aminium--bromide (1/1)
2-(2-benzoyl-4-nitroanilino)-N,N,N-trimethyl-2-oxoethan-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 0831-1181 |
| Compound Name: | 2-(2-benzoyl-4-nitroanilino)-N,N,N-trimethyl-2-oxoethan-1-aminium--bromide (1/1) |
| Molecular Weight: | 422.28 |
| Molecular Formula: | C18 H20 N3 O4 |
| Salt: | Br- |
| Smiles: | C[N+](C)(C)CC(Nc1ccc(cc1C(c1ccccc1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2488 |
| logD: | 1.7001 |
| logSw: | -3.4083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.128 |
| InChI Key: | JDBXVSFWRLHBHV-UHFFFAOYSA-O |