1-[(3-bromophenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3-bromophenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine--oxalic acid (1/1)
1-[(3-bromophenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0625 |
| Compound Name: | 1-[(3-bromophenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 509.35 |
| Molecular Formula: | C20 H23 Br N2 O3 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)Cc2cccc(c2)[Br])cc2c1OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.4641 |
| logD: | 1.0932 |
| logSw: | -3.5233 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.942 |
| InChI Key: | TYFPTVABAPIHMQ-UHFFFAOYSA-N |