5-[(4-acetylbenzene-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-acetylbenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0959 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 604.6 |
| Molecular Formula: | C27 H26 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCC(=CC1)c1ccccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8715 |
| logD: | 3.0394 |
| logSw: | -4.1812 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.003 |
| InChI Key: | GXSFYBMJDNBPBU-UHFFFAOYSA-N |