N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1026 |
| Compound Name: | N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(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)CN(CCC(N1CCNCC1)=O)S(c1ccc(cc1)C(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6767 |
| logD: | 1.8487 |
| logSw: | -3.1109 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.945 |
| InChI Key: | FFGXEIWFXQMKKS-UHFFFAOYSA-N |