(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)(4-pentylphenyl)methanone
Chemical Structure Depiction of
(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)(4-pentylphenyl)methanone
(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)(4-pentylphenyl)methanone
Compound characteristics
Compound ID: | V010-8608 |
Compound Name: | (4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)(4-pentylphenyl)methanone |
Molecular Weight: | 563.7 |
Molecular Formula: | C34 H37 N5 O3 |
Salt: | not_available |
Smiles: | CCCCCc1ccc(cc1)C(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(c2ccccc2)n1)=O |
Stereo: | ACHIRAL |
logP: | 8.6705 |
logD: | 8.5953 |
logSw: | -5.7463 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 72.066 |
InChI Key: | XWCTTWQYOHMIDG-UHFFFAOYSA-N |