4-{[4-(tert-butoxycarbonyl)piperazine-1-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[4-(tert-butoxycarbonyl)piperazine-1-carbonyl]amino}benzoic acid
4-{[4-(tert-butoxycarbonyl)piperazine-1-carbonyl]amino}benzoic acid
Compound characteristics
Compound ID: | D047-0232 |
Compound Name: | 4-{[4-(tert-butoxycarbonyl)piperazine-1-carbonyl]amino}benzoic acid |
Molecular Weight: | 349.38 |
Molecular Formula: | C17 H23 N3 O5 |
Smiles: | CC(C)(C)OC(N1CCN(CC1)C(Nc1ccc(cc1)C(O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9449 |
logD: | 0.5497 |
logSw: | -3.3129 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.005 |
InChI Key: | YMFPPIUCRMBOSA-UHFFFAOYSA-N |