{4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(thiophen-2-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(thiophen-2-yl)methanone--oxalic acid (1/1)
{4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(thiophen-2-yl)methanone--oxalic acid (1/1)
Compound characteristics
Compound ID: | 3701-0313 |
Compound Name: | {4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl}(thiophen-2-yl)methanone--oxalic acid (1/1) |
Molecular Weight: | 485.35 |
Molecular Formula: | C17 H19 Br N2 O2 S |
Salt: | HOOCCOOH |
Smiles: | COc1ccc(CN2CCN(CC2)C(c2cccs2)=O)cc1[Br] |
Stereo: | ACHIRAL |
logP: | 3.0406 |
logD: | 3.0324 |
logSw: | -3.1291 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 29.0759 |
InChI Key: | UNNSVJMFOWRDLC-UHFFFAOYSA-N |