1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-2-phenylbutan-1-one
Chemical Structure Depiction of
1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-2-phenylbutan-1-one
1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V006-8776 |
| Compound Name: | 1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-2-phenylbutan-1-one |
| Molecular Weight: | 535.65 |
| Molecular Formula: | C32 H33 N5 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(c2ccccc2)n1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3247 |
| logD: | 7.2496 |
| logSw: | -5.7564 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.066 |
| InChI Key: | XAQSELJUAKZZRG-MUUNZHRXSA-N |