N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0955 |
| Compound Name: | N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 553.64 |
| Molecular Formula: | C22 H37 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(N(CCCOC(C)C)CCC(N1CCNCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1292 |
| logD: | 1.3012 |
| logSw: | -2.747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.125 |
| InChI Key: | AWRJOPMHBYGUKY-UHFFFAOYSA-N |