5-[(4-tert-butylbenzene-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-tert-butylbenzene-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-tert-butylbenzene-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: | F293-1084 |
| Compound Name: | 5-[(4-tert-butylbenzene-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: | 613.66 |
| Molecular Formula: | C25 H33 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2c(cc(cn2)NS(c2ccc(cc2)C(C)(C)C)(=O)=O)C(O)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7448 |
| logD: | 3.414 |
| logSw: | -4.1863 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.817 |
| InChI Key: | CRHPBOZYCDPDKZ-UHFFFAOYSA-N |