5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0925 |
| Compound Name: | 5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 602.6 |
| Molecular Formula: | C24 H29 F N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1S(Nc1ccc(c(c1)C(O)=O)N(C)CCCc1c(C)nn(C)c1C)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.3651 |
| logD: | 1.2495 |
| logSw: | -3.7651 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.768 |
| InChI Key: | LILDBTSHNIPAGQ-UHFFFAOYSA-N |