5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-butanamidobenzoic acid
Chemical Structure Depiction of
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-butanamidobenzoic acid
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-butanamidobenzoic acid
Compound characteristics
| Compound ID: | F687-0132 |
| Compound Name: | 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-butanamidobenzoic acid |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C23 H34 N4 O4 |
| Smiles: | CCCC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0556 |
| logD: | -1.6474 |
| logSw: | -3.0131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.814 |
| InChI Key: | FWOZHMVQDLYJOJ-UHFFFAOYSA-N |