2-(2,2-dimethylpropanamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
2-(2,2-dimethylpropanamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
2-(2,2-dimethylpropanamido)-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F687-0638 |
| Compound Name: | 2-(2,2-dimethylpropanamido)-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)NC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1651 |
| logD: | -1.538 |
| logSw: | -2.9522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.022 |
| InChI Key: | QPRVYQVVMCQWOU-UHFFFAOYSA-N |