3-[(3,5-dimethylbenzene-1-sulfonyl)amino]-4-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,5-dimethylbenzene-1-sulfonyl)amino]-4-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
3-[(3,5-dimethylbenzene-1-sulfonyl)amino]-4-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0932 |
| Compound Name: | 3-[(3,5-dimethylbenzene-1-sulfonyl)amino]-4-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 598.64 |
| Molecular Formula: | C25 H32 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)cc(c1)S(Nc1cc(ccc1N(C)CCCc1c(C)nn(C)c1C)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8251 |
| logD: | 1.0658 |
| logSw: | -4.0523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.07 |
| InChI Key: | YIZLZFSBBZJHIU-UHFFFAOYSA-N |