2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2407 |
| Compound Name: | 2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 553.53 |
| Molecular Formula: | C23 H22 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)F)c1ccc(cc1C(O)=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2048 |
| logD: | 1.9542 |
| logSw: | -4.1682 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.448 |
| InChI Key: | UCWRLRORLLSGKD-UHFFFAOYSA-N |