4-[4-(azepan-1-yl)anilino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[4-(azepan-1-yl)anilino]-4-oxobutanoic acid
4-[4-(azepan-1-yl)anilino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | R305-0002 |
| Compound Name: | 4-[4-(azepan-1-yl)anilino]-4-oxobutanoic acid |
| Molecular Weight: | 290.36 |
| Molecular Formula: | C16 H22 N2 O3 |
| Smiles: | C1CCCN(CC1)c1ccc(cc1)NC(CCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1632 |
| logD: | -0.7862 |
| logSw: | -2.7753 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.555 |
| InChI Key: | QIQXSDGBZBAACD-UHFFFAOYSA-N |