3-[(ethanesulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(ethanesulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(ethanesulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0614 |
| Compound Name: | 3-[(ethanesulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 526.53 |
| Molecular Formula: | C18 H28 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1cc(ccc1N1CCN(CC1)CC(NC(C)C)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9342 |
| logD: | 0.1737 |
| logSw: | -2.6719 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.906 |
| InChI Key: | GIGVUBYETUONOI-UHFFFAOYSA-N |