2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0264 |
| Compound Name: | 2-[4-(ethoxycarbonyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 541.48 |
| Molecular Formula: | C22 H25 N3 O6 |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3739 |
| logD: | 1.1233 |
| logSw: | -3.5769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.213 |
| InChI Key: | UXQFSLDKACHXIN-UHFFFAOYSA-N |