3-methyl-1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)butan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
3-methyl-1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)butan-1-one--oxalic acid (1/1)
3-methyl-1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)butan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 2910-1112 |
| Compound Name: | 3-methyl-1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)butan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 396.5 |
| Molecular Formula: | C17 H26 N2 O S |
| Salt: | HOOCCOOH |
| Smiles: | CC(C)CC(N1CCN(CC1)Cc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0986 |
| logD: | 3.083 |
| logSw: | -3.1209 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.1713 |
| InChI Key: | JCBFLRXUDJFIGP-UHFFFAOYSA-N |