2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1071 |
| Compound Name: | 2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 598.64 |
| Molecular Formula: | C25 H32 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2ccc(cc2C(O)=O)NS(c2c(C)cc(C)cc2C)(=O)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8506 |
| logD: | 3.0186 |
| logSw: | -4.3327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.446 |
| InChI Key: | QRKGKEOOPYTKRN-UHFFFAOYSA-N |