5-(4-bromobenzamido)-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-bromobenzamido)-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-(4-bromobenzamido)-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1281 |
| Compound Name: | 5-(4-bromobenzamido)-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.43 |
| Molecular Formula: | C24 H27 Br N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2ccc(cc2C(O)=O)NC(c2ccc(cc2)[Br])=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4827 |
| logD: | 2.232 |
| logSw: | -4.1446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.648 |
| InChI Key: | RSVXPMIPPNBVRD-UHFFFAOYSA-N |