{4-[(3-fluorophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(3-fluorophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(3-fluorophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0384 |
| Compound Name: | {4-[(3-fluorophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 478.47 |
| Molecular Formula: | C21 H25 F N2 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCN(CC1)Cc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2555 |
| logD: | 2.247 |
| logSw: | -2.7748 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.405 |
| InChI Key: | KHKINDLZDUXXQW-UHFFFAOYSA-N |