2-(3-methylphenoxy)-1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)ethan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
2-(3-methylphenoxy)-1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)ethan-1-one--oxalic acid (1/1)
2-(3-methylphenoxy)-1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)ethan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-2164 |
| Compound Name: | 2-(3-methylphenoxy)-1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)ethan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C21 H26 N2 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | Cc1cccc(c1)OCC(N1CCN(CC1)Cc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.41 |
| logD: | 3.3972 |
| logSw: | -3.6123 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.3989 |
| InChI Key: | ULURIRAGWIISQU-UHFFFAOYSA-N |