1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)hex-5-en-2-ol
Chemical Structure Depiction of
1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)hex-5-en-2-ol
1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)hex-5-en-2-ol
Compound characteristics
| Compound ID: | V011-3144 |
| Compound Name: | 1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)hex-5-en-2-ol |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C28 H33 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(c2ccccc2)n1)N1CCN(CC1)CC(CCC=C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0136 |
| logD: | 5.481 |
| logSw: | -5.6147 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.042 |
| InChI Key: | KKGRTPWUFLVJKQ-VWLOTQADSA-N |