1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0776 |
| Compound Name: | 1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C19 H23 N3 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | CSc1ccc(CN2CCN(CC2)Cc2ccc(cc2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5883 |
| logD: | 3.4483 |
| logSw: | -3.7331 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 40.893 |
| InChI Key: | MMPSNKSYGCQWBD-UHFFFAOYSA-N |