2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1130 |
| Compound Name: | 2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 498.45 |
| Molecular Formula: | C21 H24 N2 O5 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(O)=O)N(C)CC1COCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5363 |
| logD: | 0.2856 |
| logSw: | -2.8946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.086 |
| InChI Key: | KPAIZMOFVYYPLE-KRWDZBQOSA-N |