2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0931 |
| Compound Name: | 2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.01 |
| Molecular Formula: | C27 H28 Cl N3 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CCOc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4165 |
| logD: | 3.1658 |
| logSw: | -5.6576 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.826 |
| InChI Key: | FGPNFNXYRUEJFH-UHFFFAOYSA-N |