5-(4-fluorobenzamido)-2-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-fluorobenzamido)-2-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(4-fluorobenzamido)-2-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1640 |
| Compound Name: | 5-(4-fluorobenzamido)-2-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 604.56 |
| Molecular Formula: | C27 H27 F N4 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)NC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6844 |
| logD: | 2.4338 |
| logSw: | -4.2501 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.579 |
| InChI Key: | SJNCQHQVBNMSEK-UHFFFAOYSA-N |