5-(4-methylbenzamido)-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-methylbenzamido)-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-(4-methylbenzamido)-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1191 |
| Compound Name: | 5-(4-methylbenzamido)-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 548.56 |
| Molecular Formula: | C25 H30 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(O)=O)N(C)CCCc1c(C)nn(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4738 |
| logD: | 1.2232 |
| logSw: | -3.8107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.209 |
| InChI Key: | UQBQYQWBWXUIJG-UHFFFAOYSA-N |