1-(4-{6-ethyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one
Chemical Structure Depiction of
1-(4-{6-ethyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one
1-(4-{6-ethyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one
Compound characteristics
| Compound ID: | V027-7744 |
| Compound Name: | 1-(4-{6-ethyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C25 H35 N5 O3 |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(C(C)C)n1)N1CCN(CC1)C(CC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5242 |
| logD: | 5.3602 |
| logSw: | -5.3378 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.771 |
| InChI Key: | YBPDFMMNSSCGAK-UHFFFAOYSA-N |