2-(3-methylbutanamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
2-(3-methylbutanamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
2-(3-methylbutanamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F687-0484 |
| Compound Name: | 2-(3-methylbutanamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C21 H32 N4 O4 |
| Smiles: | CC(C)CC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1741 |
| logD: | -1.529 |
| logSw: | -2.9554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.808 |
| InChI Key: | WWHISMVKNKGIOP-UHFFFAOYSA-N |