5-[(4-methylbenzene-1-sulfonyl)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-[(4-methylbenzene-1-sulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(4-methylbenzene-1-sulfonyl)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: | F293-1065 |
| Compound Name: | 5-[(4-methylbenzene-1-sulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.57 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2c(cc(cn2)NS(c2ccc(C)cc2)(=O)=O)C(O)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3738 |
| logD: | 2.0429 |
| logSw: | -3.5115 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.817 |
| InChI Key: | GTEILWJIRYFDND-UHFFFAOYSA-N |