3-[(methanesulfonyl)amino]-4-[4-(methyl{3-[(propan-2-yl)oxy]propyl}amino)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(methanesulfonyl)amino]-4-[4-(methyl{3-[(propan-2-yl)oxy]propyl}amino)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(methanesulfonyl)amino]-4-[4-(methyl{3-[(propan-2-yl)oxy]propyl}amino)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0702 |
| Compound Name: | 3-[(methanesulfonyl)amino]-4-[4-(methyl{3-[(propan-2-yl)oxy]propyl}amino)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 541.59 |
| Molecular Formula: | C20 H33 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(C)C1CCN(CC1)c1ccc(cc1NS(C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3933 |
| logD: | 2.3933 |
| logSw: | -2.7782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.014 |
| InChI Key: | FFOCPSGTOFWSBA-UHFFFAOYSA-N |