4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide
4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V029-4964 |
| Compound Name: | 4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C23 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6649 |
| logD: | 4.4976 |
| logSw: | -4.3786 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.496 |
| InChI Key: | DAOHZGNYHXKRJE-INIZCTEOSA-N |