(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)(4-nitrophenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)(4-nitrophenyl)methanone--oxalic acid (1/1)
(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)(4-nitrophenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0495 |
| Compound Name: | (4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)(4-nitrophenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C19 H21 N3 O3 S |
| Salt: | HOOCCOOH |
| Smiles: | CSc1ccc(CN2CCN(CC2)C(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0632 |
| logD: | 3.056 |
| logSw: | -3.3369 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.809 |
| InChI Key: | RBIMEIXDDYSEGP-UHFFFAOYSA-N |