3-({4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1)
Chemical Structure Depiction of
3-({4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1)
3-({4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0692 |
| Compound Name: | 3-({4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1) |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C22 H27 N3 O2 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(c(CN2CCN(CC2)Cc2c[nH]c3ccccc23)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2245 |
| logD: | 1.9905 |
| logSw: | -3.3009 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.556 |
| InChI Key: | YBXYBQMPUYHVNC-UHFFFAOYSA-N |