N-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethyl-3-phenylprop-2-yn-1-aminium--bromide (1/1)
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethyl-3-phenylprop-2-yn-1-aminium--bromide (1/1)
N-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethyl-3-phenylprop-2-yn-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 5504-0068 |
| Compound Name: | N-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethyl-3-phenylprop-2-yn-1-aminium--bromide (1/1) |
| Molecular Weight: | 420.78 |
| Molecular Formula: | C21 H23 Cl N O |
| Salt: | Br- |
| Smiles: | CC[N+](CC)(CC#Cc1ccccc1)CC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9528 |
| logD: | 4.9528 |
| logSw: | -5.0916 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 13.4504 |
| InChI Key: | KTFNRHSGFOZBKS-UHFFFAOYSA-N |