4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
Compound characteristics
Compound ID: | 8008-5572 |
Compound Name: | 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoic acid |
Molecular Weight: | 402.36 |
Molecular Formula: | C18 H18 N4 O7 |
Smiles: | COc1ccccc1N1CCN(CC1)c1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.9755 |
logD: | 0.7308 |
logSw: | -4.173 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 108.248 |
InChI Key: | WLGWGOUWOMGWIA-UHFFFAOYSA-N |