5-[(4-ethylbenzene-1-sulfonyl)amino]-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-ethylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(4-ethylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1058 |
| Compound Name: | 5-[(4-ethylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 598.64 |
| Molecular Formula: | C25 H32 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N(C)CCc1c(C)nn(CC)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4916 |
| logD: | 2.3759 |
| logSw: | -4.1615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.206 |
| InChI Key: | FXLYIMZGMBYLRG-UHFFFAOYSA-N |