5-[(3-fluorobenzene-1-sulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3-fluorobenzene-1-sulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(3-fluorobenzene-1-sulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1087 |
| Compound Name: | 5-[(3-fluorobenzene-1-sulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 574.55 |
| Molecular Formula: | C22 H25 F N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2ccc(cc2C(O)=O)NS(c2cccc(c2)F)(=O)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4115 |
| logD: | 1.5794 |
| logSw: | -3.8582 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.446 |
| InChI Key: | SMLLAKMJBCJMOV-UHFFFAOYSA-N |