5-(2-methylbenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(2-methylbenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-(2-methylbenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1290 |
| Compound Name: | 5-(2-methylbenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 534.53 |
| Molecular Formula: | C24 H28 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)C(O)=O)N(C)CCc1c(C)nn(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.329 |
| logD: | 1.0784 |
| logSw: | -3.7169 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.209 |
| InChI Key: | JJUYMTPFIWHTRP-UHFFFAOYSA-N |