(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0372 |
| Compound Name: | (4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 506.57 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCN(CC1)Cc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8526 |
| logD: | 2.8454 |
| logSw: | -3.2108 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.405 |
| InChI Key: | UQFGHABOOJIKNQ-UHFFFAOYSA-N |