5-[(3-fluorobenzene-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-[(3-fluorobenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(3-fluorobenzene-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: | F294-0922 |
| Compound Name: | 5-[(3-fluorobenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.58 |
| Molecular Formula: | C23 H27 F N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCCN(C)c2ccc(cc2C(O)=O)NS(c2cccc(c2)F)(=O)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9557 |
| logD: | 0.8401 |
| logSw: | -3.5895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.768 |
| InChI Key: | BQOGXYBOWAZYGR-UHFFFAOYSA-N |