2-(4-bromobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
2-(4-bromobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
2-(4-bromobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F687-0823 |
| Compound Name: | 2-(4-bromobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 457.33 |
| Molecular Formula: | C21 H21 Br N4 O3 |
| Smiles: | C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1ccc(cc1)[Br])=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.8422 |
| logD: | -1.274 |
| logSw: | -3.4527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.775 |
| InChI Key: | RCMVYSUBYIOURG-UHFFFAOYSA-N |