3-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1)
Chemical Structure Depiction of
3-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1)
3-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y511-3905 |
| Compound Name: | 3-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1) |
| Molecular Weight: | 504.38 |
| Molecular Formula: | C21 H24 Br N3 O |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)Cc1c[nH]c2ccccc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.918 |
| logD: | 2.778 |
| logSw: | -4.104 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.01 |
| InChI Key: | GYKXPGJPYKFFTF-UHFFFAOYSA-N |