5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic acid
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0913 |
| Compound Name: | 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic acid |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C27 H34 N4 O5 |
| Smiles: | COc1ccccc1C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7237 |
| logD: | -1.3925 |
| logSw: | -3.3023 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.387 |
| InChI Key: | BNFJQFUIHWTAFF-UHFFFAOYSA-N |