2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}-5-[(5,6,7,8-tetrahydronaphthalene-2-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-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1081 |
| Compound Name: | 2-{methyl[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]amino}-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 610.65 |
| Molecular Formula: | C26 H32 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCn1c(CN(C)c2ccc(cc2C(O)=O)NS(c2ccc3CCCCc3c2)(=O)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6632 |
| logD: | 2.8312 |
| logSw: | -4.2788 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.366 |
| InChI Key: | VSUODGLLRDUXIL-UHFFFAOYSA-N |