(3,5-dimethoxyphenyl)(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(3,5-dimethoxyphenyl)(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1)
(3,5-dimethoxyphenyl)(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y511-2452 |
| Compound Name: | (3,5-dimethoxyphenyl)(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C21 H26 N2 O3 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1)OC)C(N1CCN(CC1)Cc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.337 |
| logD: | 3.33 |
| logSw: | -3.605 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.51 |
| InChI Key: | CRYYJOZHVYTPDJ-UHFFFAOYSA-N |