1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0457 |
| Compound Name: | 1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 556.63 |
| Molecular Formula: | C26 H30 N2 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)Cc1ccc(c(c1)OC)OCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.227 |
| logD: | 4.1319 |
| logSw: | -4.3549 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.435 |
| InChI Key: | RUXHFOKLOJFNOR-UHFFFAOYSA-N |