1-[(3-bromo-4-methoxyphenyl)methyl]-4-(naphthalene-2-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(naphthalene-2-sulfonyl)piperazine--oxalic acid (1/1)
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(naphthalene-2-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0151 |
| Compound Name: | 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(naphthalene-2-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 565.44 |
| Molecular Formula: | C22 H23 Br N2 O3 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)S(c2ccc3ccccc3c2)(=O)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2942 |
| logD: | 4.2905 |
| logSw: | -4.2423 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.849 |
| InChI Key: | KGSCAZSTXAOXKZ-UHFFFAOYSA-N |