1-(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Chemical Structure Depiction of
1-(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
1-(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | V029-4952 |
| Compound Name: | 1-(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C23 H31 N5 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(COC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7303 |
| logD: | 3.563 |
| logSw: | -4.1636 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.506 |
| InChI Key: | AVGIQJYVWCLHML-INIZCTEOSA-N |