2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0457 |
| Compound Name: | 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.99 |
| Molecular Formula: | C26 H26 Cl N3 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.754 |
| logD: | 3.5034 |
| logSw: | -5.6972 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.393 |
| InChI Key: | WOTFTNLYSIRNRT-UHFFFAOYSA-N |