2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1136 |
| Compound Name: | 2-{[(1,4-dioxan-2-yl)methyl](methyl)amino}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 490.45 |
| Molecular Formula: | C18 H20 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CN(CC1COCCO1)c1ccc(cc1C(O)=O)NC(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0254 |
| logD: | -0.2252 |
| logSw: | -2.8081 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.105 |
| InChI Key: | NJFCYGKDTQANKO-ZDUSSCGKSA-N |