1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2,2-diphenylethan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2,2-diphenylethan-1-one--oxalic acid (1/1)
1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2,2-diphenylethan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0460 |
| Compound Name: | 1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2,2-diphenylethan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C26 H28 N2 O S |
| Salt: | HOOCCOOH |
| Smiles: | CSc1ccc(CN2CCN(CC2)C(C(c2ccccc2)c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9673 |
| logD: | 4.9475 |
| logSw: | -4.554 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.1556 |
| InChI Key: | UJUQZKVFVHWKAA-UHFFFAOYSA-N |