5-[(4-methylbenzene-1-sulfonyl)amino]-2-{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-methylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(4-methylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0909 |
| Compound Name: | 5-[(4-methylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.6 |
| Molecular Formula: | C23 H29 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(Nc1cc(C(O)=O)c(nc1)N(C)CCCc1c(C)nn(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8917 |
| logD: | 1.2842 |
| logSw: | -3.4217 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.139 |
| InChI Key: | DHBFYBPRKJLFFC-UHFFFAOYSA-N |