4-[2-(4-chlorophenyl)-2-oxoethyl]-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium--bromide (1/1)
Chemical Structure Depiction of
4-[2-(4-chlorophenyl)-2-oxoethyl]-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium--bromide (1/1)
4-[2-(4-chlorophenyl)-2-oxoethyl]-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 5504-0110 |
| Compound Name: | 4-[2-(4-chlorophenyl)-2-oxoethyl]-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium--bromide (1/1) |
| Molecular Weight: | 434.76 |
| Molecular Formula: | C21 H21 Cl N O2 |
| Salt: | Br- |
| Smiles: | C1COCC[N+]1(CC#Cc1ccccc1)CC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9382 |
| logD: | 3.9382 |
| logSw: | -4.5639 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.0208 |
| InChI Key: | GHIVHFZSJHEBBI-UHFFFAOYSA-N |