N,N-dimethyl-4-{6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N,N-dimethyl-4-{6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
N,N-dimethyl-4-{6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V004-9820 |
| Compound Name: | N,N-dimethyl-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: | Cc1c(Cc2ccccc2[N+]([O-])=O)c(nc(c2ccccc2)n1)N1CCN(CC1)C(N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3413 |
| logD: | 5.2661 |
| logSw: | -5.3582 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.924 |
| InChI Key: | ILKWJFBTSNSRAC-UHFFFAOYSA-N |