5-[(4-ethylbenzene-1-sulfonyl)amino]-6-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-ethylbenzene-1-sulfonyl)amino]-6-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(4-ethylbenzene-1-sulfonyl)amino]-6-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0918 |
| Compound Name: | 5-[(4-ethylbenzene-1-sulfonyl)amino]-6-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.63 |
| Molecular Formula: | C24 H31 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1cc(cnc1N(C)CCCc1c(C)nn(C)c1C)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2933 |
| logD: | 0.1213 |
| logSw: | -3.4797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.441 |
| InChI Key: | VUKMWFJZMDRLHW-UHFFFAOYSA-N |