(3-chlorophenyl)(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(3-chlorophenyl)(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)methanone
(3-chlorophenyl)(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V009-4554 |
| Compound Name: | (3-chlorophenyl)(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 528.01 |
| Molecular Formula: | C29 H26 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(c2ccccc2)n1)N1CCN(CC1)C(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.7255 |
| logD: | 6.6504 |
| logSw: | -6.2216 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.066 |
| InChI Key: | BPPKBAXCNRTDEI-UHFFFAOYSA-N |