N-ethyl-4-{6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-ethyl-4-{6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
N-ethyl-4-{6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V026-6696 |
| Compound Name: | N-ethyl-4-{6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide |
| Molecular Weight: | 460.54 |
| Molecular Formula: | C25 H28 N6 O3 |
| Salt: | not_available |
| Smiles: | CCNC(N1CCN(CC1)c1c(Cc2ccccc2[N+]([O-])=O)c(C)nc(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2282 |
| logD: | 5.153 |
| logSw: | -5.1778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.806 |
| InChI Key: | YLPOHLCVRTXEED-UHFFFAOYSA-N |