3,5-dimethyl-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3,5-dimethyl-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
3,5-dimethyl-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0986-0277 |
| Compound Name: | 3,5-dimethyl-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 365.22 |
| Molecular Formula: | C16 H17 N2 O3 |
| Salt: | Br- |
| Smiles: | Cc1cc(C)c[n+](CC(c2ccc(C)c(c2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7774 |
| logD: | 3.7774 |
| logSw: | -3.9034 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.145 |
| InChI Key: | NDEIHLQHVDDFJN-UHFFFAOYSA-N |