1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine--oxalic acid (1/1)
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0603 |
| Compound Name: | 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 491.5 |
| Molecular Formula: | C21 H27 N3 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cccc(CN2CCN(CC2)Cc2cc(c(cc2[N+]([O-])=O)OC)OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7502 |
| logD: | 1.5394 |
| logSw: | -3.0236 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.397 |
| InChI Key: | ZOPHRUFFEROWLT-UHFFFAOYSA-N |