5-(3-chlorobenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(3-chlorobenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-(3-chlorobenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1298 |
| Compound Name: | 5-(3-chlorobenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 554.95 |
| Molecular Formula: | C23 H25 Cl N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCN(C)c2ccc(cc2C(O)=O)NC(c2cccc(c2)[Cl])=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7729 |
| logD: | 1.5222 |
| logSw: | -4.1896 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.209 |
| InChI Key: | MAPCMOKKULJQCW-UHFFFAOYSA-N |