5-[(4-ethylbenzene-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-ethylbenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
5-[(4-ethylbenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0947 |
| Compound Name: | 5-[(4-ethylbenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 590.62 |
| Molecular Formula: | C27 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCC(=CC1)c1ccccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2601 |
| logD: | 4.428 |
| logSw: | -5.2631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.176 |
| InChI Key: | HXYBYGLUZPVFLR-UHFFFAOYSA-N |