5-[(2,5-dimethylbenzene-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-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(2,5-dimethylbenzene-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: | F294-1078 |
| Compound Name: | 5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 584.61 |
| Molecular Formula: | C24 H30 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2ccc(cc2C(O)=O)NS(c2cc(C)ccc2C)(=O)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.184 |
| logD: | 2.3519 |
| logSw: | -4.0152 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.446 |
| InChI Key: | ZDEKEGMEQXYUQA-UHFFFAOYSA-N |