4-amino-1-[2-(4-chlorophenyl)-2-oxoethyl]-3,5-dimethyl-4H-1,2,4-triazol-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-amino-1-[2-(4-chlorophenyl)-2-oxoethyl]-3,5-dimethyl-4H-1,2,4-triazol-1-ium--bromide (1/1)
4-amino-1-[2-(4-chlorophenyl)-2-oxoethyl]-3,5-dimethyl-4H-1,2,4-triazol-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8019-3876 |
| Compound Name: | 4-amino-1-[2-(4-chlorophenyl)-2-oxoethyl]-3,5-dimethyl-4H-1,2,4-triazol-1-ium--bromide (1/1) |
| Molecular Weight: | 345.62 |
| Molecular Formula: | C12 H14 Cl N4 O |
| Salt: | Br- |
| Smiles: | Cc1n[n+](CC(c2ccc(cc2)[Cl])=O)c(C)n1N |
| Stereo: | ACHIRAL |
| logP: | 0.8501 |
| logD: | 0.8501 |
| logSw: | -2.3111 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.621 |
| InChI Key: | LPEJOAQPFJNXAK-UHFFFAOYSA-N |