1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4262-0249 |
| Compound Name: | 1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1) |
| Molecular Weight: | 538.66 |
| Molecular Formula: | C27 H32 N2 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)Cc2ccc(cc2)SC)cc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5766 |
| logD: | 3.6053 |
| logSw: | -4.628 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 22.4561 |
| InChI Key: | JWULSQDGBNWDJN-UHFFFAOYSA-N |