N-{4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl}-4-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl}-4-fluorobenzene-1-sulfonamide
N-{4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl}-4-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V028-0089 |
| Compound Name: | N-{4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl}-4-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 433.54 |
| Molecular Formula: | C22 H28 F N3 O3 S |
| Smiles: | CC(C)(C)CC(N1CCN(CC1)c1ccc(cc1)NS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1408 |
| logD: | 4.0762 |
| logSw: | -4.1003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.541 |
| InChI Key: | XBVKCLKFIIXVAN-UHFFFAOYSA-N |