5-[(benzenesulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(benzenesulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(benzenesulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-1063 |
| Compound Name: | 5-[(benzenesulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 557.55 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2c(cc(cn2)NS(c2ccccc2)(=O)=O)C(O)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7653 |
| logD: | 1.4345 |
| logSw: | -3.3375 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.817 |
| InChI Key: | YGXVDEZPUBUUNV-UHFFFAOYSA-N |