5-(4-methylbenzamido)-2-[4-(methyl{3-[(propan-2-yl)oxy]propyl}amino)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-methylbenzamido)-2-[4-(methyl{3-[(propan-2-yl)oxy]propyl}amino)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
5-(4-methylbenzamido)-2-[4-(methyl{3-[(propan-2-yl)oxy]propyl}amino)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0846 |
| Compound Name: | 5-(4-methylbenzamido)-2-[4-(methyl{3-[(propan-2-yl)oxy]propyl}amino)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.63 |
| Molecular Formula: | C27 H37 N3 O4 |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(C)C1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3991 |
| logD: | 4.3991 |
| logSw: | -4.1271 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.936 |
| InChI Key: | QQLSEEUUMZOIRM-UHFFFAOYSA-N |