5-(4-bromobenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-bromobenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-(4-bromobenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1313 |
| Compound Name: | 5-(4-bromobenzamido)-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.4 |
| Molecular Formula: | C23 H25 Br N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2ccc(cc2C(O)=O)NC(c2ccc(cc2)[Br])=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3401 |
| logD: | 2.3738 |
| logSw: | -4.0608 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.887 |
| InChI Key: | QUKGWSDDLJWSFU-UHFFFAOYSA-N |