(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(oxolan-3-yl)methanone
Chemical Structure Depiction of
(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(oxolan-3-yl)methanone
(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(oxolan-3-yl)methanone
Compound characteristics
| Compound ID: | V003-9907 |
| Compound Name: | (4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(oxolan-3-yl)methanone |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C25 H33 N5 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(C1CCOC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3322 |
| logD: | 4.1649 |
| logSw: | -4.2877 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.303 |
| InChI Key: | YGNXJYCMWLQQSM-UHFFFAOYSA-N |