4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0619 |
| Compound Name: | 4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 580.6 |
| Molecular Formula: | C20 H26 N4 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7592 |
| logD: | 0.8213 |
| logSw: | -3.2144 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.026 |
| InChI Key: | TVLSWADAMMYNOT-UHFFFAOYSA-N |