4-(4-methylpiperidin-1-yl)-3-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-methylpiperidin-1-yl)-3-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-methylpiperidin-1-yl)-3-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0500 |
| Compound Name: | 4-(4-methylpiperidin-1-yl)-3-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 458.45 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)c1ccc(cc1NC(c1cccs1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4625 |
| logD: | 2.5681 |
| logSw: | -4.119 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.21 |
| InChI Key: | GCKMZYCHWTUFRM-UHFFFAOYSA-N |