5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-phenoxyacetamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-phenoxyacetamido)benzoic acid
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-phenoxyacetamido)benzoic acid
Compound characteristics
| Compound ID: | F687-1032 |
| Compound Name: | 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-phenoxyacetamido)benzoic acid |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C27 H34 N4 O5 |
| Smiles: | C1CCCN(CC1)C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(COc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7062 |
| logD: | -0.9969 |
| logSw: | -3.2108 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.042 |
| InChI Key: | QTCYTQHGQGJQCG-UHFFFAOYSA-N |