4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0306 |
| Compound Name: | 4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 509.59 |
| Molecular Formula: | C20 H33 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(N(CCC(N1CCNCC1)=O)C(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5342 |
| logD: | 1.7063 |
| logSw: | -2.8155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.727 |
| InChI Key: | KYXOVFHERIRHDQ-UHFFFAOYSA-N |