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 |