1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V009-4320 |
| Compound Name: | 1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 501.59 |
| Molecular Formula: | C28 H31 N5 O4 |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(c2ccccc2)n1)N1CCN(CC1)CC(COCC#C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9046 |
| logD: | 4.7881 |
| logSw: | -4.5896 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.395 |
| InChI Key: | POBYSLFCWIARNV-VWLOTQADSA-N |