2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1140 |
| Compound Name: | 2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 514.45 |
| Molecular Formula: | C21 H24 N2 O6 |
| Salt: | CF3COOH |
| Smiles: | CN(CC1COCCO1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0952 |
| logD: | -0.1554 |
| logSw: | -2.9709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.63 |
| InChI Key: | QYJQCZJLEJQFHB-KRWDZBQOSA-N |