1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-(naphthalene-2-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-(naphthalene-2-sulfonyl)piperazine--oxalic acid (1/1)
1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-(naphthalene-2-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0152 |
| Compound Name: | 1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-(naphthalene-2-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 592.67 |
| Molecular Formula: | C29 H30 N2 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)S(c2ccc3ccccc3c2)(=O)=O)cc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7223 |
| logD: | 4.6272 |
| logSw: | -5.2454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.163 |
| InChI Key: | VQXCYYHHTRWCSU-UHFFFAOYSA-N |