5-[(4-fluorobenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-fluorobenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
5-[(4-fluorobenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0933 |
| Compound Name: | 5-[(4-fluorobenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 580.55 |
| Molecular Formula: | C25 H23 F N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C1CCN(CC=1)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3585 |
| logD: | 3.5264 |
| logSw: | -5.1425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.176 |
| InChI Key: | BXDOBDKXJWPCGV-UHFFFAOYSA-N |