5-(4-methylbenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-methylbenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-(4-methylbenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1302 |
| Compound Name: | 5-(4-methylbenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 534.53 |
| Molecular Formula: | C24 H28 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2ccc(cc2C(O)=O)NC(c2ccc(C)cc2)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9296 |
| logD: | 1.9633 |
| logSw: | -3.8616 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.887 |
| InChI Key: | LFCBGSHZXMHPDW-UHFFFAOYSA-N |