(2-fluorophenyl)(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(2-fluorophenyl)(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1)
(2-fluorophenyl)(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0675 |
| Compound Name: | (2-fluorophenyl)(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 434.48 |
| Molecular Formula: | C19 H21 F N2 O S |
| Salt: | HOOCCOOH |
| Smiles: | CSc1ccc(CN2CCN(CC2)C(c2ccccc2F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2731 |
| logD: | 3.2659 |
| logSw: | -3.6076 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.4271 |
| InChI Key: | CNCVFKNVPPUYSI-UHFFFAOYSA-N |