2-(4-phenylpiperazin-1-yl)-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-phenylpiperazin-1-yl)-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(4-phenylpiperazin-1-yl)-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0391 |
| Compound Name: | 2-(4-phenylpiperazin-1-yl)-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 521.51 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccccc1)c1ccc(cc1C(O)=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4016 |
| logD: | 2.151 |
| logSw: | -4.1408 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.168 |
| InChI Key: | ZGCKBYITSVFAIV-UHFFFAOYSA-N |