5-benzyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine
Chemical Structure Depiction of
5-benzyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine
5-benzyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine
Compound characteristics
| Compound ID: | V009-2970 |
| Compound Name: | 5-benzyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine |
| Molecular Weight: | 582.05 |
| Molecular Formula: | C28 H25 Cl F N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccccc2)c(nc(c2cccc(c2)F)n1)N1CCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.156 |
| logD: | 7.1043 |
| logSw: | -6.4736 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.828 |
| InChI Key: | ASHXLHQQXHBDRW-UHFFFAOYSA-N |