2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0908 |
| Compound Name: | 2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.67 |
| Molecular Formula: | C26 H34 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(c(C)c1)S(Nc1ccc(c(c1)C(O)=O)N(C)CCCc1c(C)nn(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3949 |
| logD: | 2.2792 |
| logSw: | -4.1564 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.768 |
| InChI Key: | WOHSGSSULAVVHB-UHFFFAOYSA-N |