1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)octan-1-one
Chemical Structure Depiction of
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)octan-1-one
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)octan-1-one
Compound characteristics
| Compound ID: | V010-8585 |
| Compound Name: | 1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)octan-1-one |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C25 H35 N5 O3 |
| Salt: | not_available |
| Smiles: | CCCCCCCC(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5789 |
| logD: | 5.4899 |
| logSw: | -5.1418 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.695 |
| InChI Key: | MLTQKDAWSSEMEX-UHFFFAOYSA-N |