5-(2-fluorobenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(2-fluorobenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-(2-fluorobenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1305 |
| Compound Name: | 5-(2-fluorobenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 538.5 |
| Molecular Formula: | C23 H25 F N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2ccc(cc2C(O)=O)NC(c2ccccc2F)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4891 |
| logD: | 1.5228 |
| logSw: | -3.7732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.887 |
| InChI Key: | NRIACKALIYKVOE-UHFFFAOYSA-N |