2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0453 |
| Compound Name: | 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 569.99 |
| Molecular Formula: | C23 H22 Cl N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1cccs1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6842 |
| logD: | 3.4336 |
| logSw: | -5.6048 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.867 |
| InChI Key: | FGQXVMKKMJKUJJ-UHFFFAOYSA-N |