1-[(4-ethylphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(4-ethylphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
1-[(4-ethylphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4262-0112 |
| Compound Name: | 1-[(4-ethylphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1) |
| Molecular Weight: | 430.56 |
| Molecular Formula: | C21 H28 N2 S |
| Salt: | HOOCCOOH |
| Smiles: | CCc1ccc(CN2CCN(CC2)Cc2ccc(cc2)SC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5933 |
| logD: | 4.132 |
| logSw: | -4.1555 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 7.5114 |
| InChI Key: | MDFLWFCFFITZCN-UHFFFAOYSA-N |