5-benzyl-4-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine
Chemical Structure Depiction of
5-benzyl-4-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine
5-benzyl-4-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine
Compound characteristics
| Compound ID: | V001-0131 |
| Compound Name: | 5-benzyl-4-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine |
| Molecular Weight: | 581.51 |
| Molecular Formula: | C28 H26 Br F N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccccc2)c(nc(c2cccc(c2)F)n1)N1CCN(CC1)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5525 |
| logD: | 7.5008 |
| logSw: | -5.9151 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.748 |
| InChI Key: | DYGCMBWMFRRPGL-UHFFFAOYSA-N |