2-(2,2-dimethylpropanamido)-5-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
2-(2,2-dimethylpropanamido)-5-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid
2-(2,2-dimethylpropanamido)-5-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F687-0644 |
| Compound Name: | 2-(2,2-dimethylpropanamido)-5-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C22 H34 N4 O5 |
| Smiles: | CC(C)(C)C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(NCCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6137 |
| logD: | -2.0894 |
| logSw: | -2.4516 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.231 |
| InChI Key: | VOXXCMOZZPZIFE-UHFFFAOYSA-N |