5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methylbenzamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methylbenzamido)benzoic acid
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methylbenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0311 |
| Compound Name: | 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methylbenzamido)benzoic acid |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C27 H34 N4 O4 |
| Smiles: | Cc1ccccc1C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1176 |
| logD: | -0.9986 |
| logSw: | -3.3622 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.756 |
| InChI Key: | WAKDDDYLIQERFP-UHFFFAOYSA-N |