5-acetamido-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-acetamido-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
5-acetamido-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | G889-1664 |
| Compound Name: | 5-acetamido-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 490.48 |
| Molecular Formula: | C19 H28 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8336 |
| logD: | -0.4171 |
| logSw: | -2.5614 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.185 |
| InChI Key: | SCXURBMWSVPOQE-UHFFFAOYSA-N |