2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(thiophene-2-carbonyl)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-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1197 |
| Compound Name: | 2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 540.56 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCCN(C)c2ccc(cc2C(O)=O)NC(c2cccs2)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.963 |
| logD: | 0.7123 |
| logSw: | -3.5301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.228 |
| InChI Key: | ZTETWAYLOJAGBY-UHFFFAOYSA-N |