4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-propanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-propanamidobenzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-propanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F086-0490 |
Compound Name: | 4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-propanamidobenzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 504.51 |
Molecular Formula: | C20 H30 N4 O4 |
Salt: | CF3COOH |
Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1NC(CC)=O)C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.509 |
logD: | 0.6146 |
logSw: | -2.833 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 82.375 |
InChI Key: | HOCWERMCHWSFOF-UHFFFAOYSA-N |