N,N-dimethyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N,N-dimethyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
N,N-dimethyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
Compound characteristics
Compound ID: | V028-7542 |
Compound Name: | N,N-dimethyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide |
Molecular Weight: | 460.54 |
Molecular Formula: | C25 H28 N6 O3 |
Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(c2ccccc2)n1)N1CCN(CC1)C(N(C)C)=O |
Stereo: | ACHIRAL |
logP: | 5.2467 |
logD: | 5.1716 |
logSw: | -5.1517 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 73.225 |
InChI Key: | ZSWFJSZBYPAWHD-UHFFFAOYSA-N |