N-tert-butyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
N-tert-butyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V027-8587 |
| Compound Name: | N-tert-butyl-4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C27 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(c2ccccc2)n1)N1CCN(CC1)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1734 |
| logD: | 6.0982 |
| logSw: | -5.6249 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.305 |
| InChI Key: | XNIFECMUCRAXNI-UHFFFAOYSA-N |