2-(4-fluorobenzamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
2-(4-fluorobenzamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
2-(4-fluorobenzamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F687-0200 |
| Compound Name: | 2-(4-fluorobenzamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C23 H27 F N4 O4 |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6032 |
| logD: | -1.5131 |
| logSw: | -3.0754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.75 |
| InChI Key: | ABTABAIJKRKFKS-UHFFFAOYSA-N |