5-(3-methylbenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid
Chemical Structure Depiction of
5-(3-methylbenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid
5-(3-methylbenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid
Compound characteristics
| Compound ID: | G889-1291 |
| Compound Name: | 5-(3-methylbenzamido)-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}benzoic acid |
| Molecular Weight: | 534.53 |
| Molecular Formula: | C24 H28 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(c(c1)C(O)=O)N(C)CCc1c(C)nn(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4811 |
| logD: | 1.2305 |
| logSw: | -3.8537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.209 |
| InChI Key: | IHDYCAPKQBZLSQ-UHFFFAOYSA-N |