2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-5-[(thiophene-2-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-5-[(thiophene-2-carbonyl)amino]benzoic acid
2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-5-[(thiophene-2-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | G889-2148 |
| Compound Name: | 2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-5-[(thiophene-2-carbonyl)amino]benzoic acid |
| Molecular Weight: | 544.55 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8072 |
| logD: | 0.5566 |
| logSw: | -3.3889 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.165 |
| InChI Key: | KFUWFJDALSWUER-UHFFFAOYSA-N |