1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0512 |
| Compound Name: | 1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C22 H30 N2 O3 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)Cc2ccc(cc2)SC)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.324 |
| logD: | 0.9531 |
| logSw: | -3.519 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 30.4893 |
| InChI Key: | KNHLPUQBSHHWFM-UHFFFAOYSA-N |