5-(4-fluorobenzamido)-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-fluorobenzamido)-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-(4-fluorobenzamido)-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1193 |
| Compound Name: | 5-(4-fluorobenzamido)-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.53 |
| Molecular Formula: | C24 H27 F N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCCN(C)c2ccc(cc2C(O)=O)NC(c2ccc(cc2)F)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0795 |
| logD: | 0.8288 |
| logSw: | -3.4981 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.209 |
| InChI Key: | LBOSQCWHYXVWMD-UHFFFAOYSA-N |