4-(2-methylpropyl)-N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(2-methylpropyl)-N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-(2-methylpropyl)-N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0367 |
| Compound Name: | 4-(2-methylpropyl)-N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 537.6 |
| Molecular Formula: | C21 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(N(CC1CCCO1)CC(N1CCNCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6861 |
| logD: | 1.1266 |
| logSw: | -2.607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.35 |
| InChI Key: | KFLKGZMXIZGGLH-LJQANCHMSA-N |