化工社化工社化学信息打印报告 · 仅供科研参考
3-{(S)-1-[4-(1,4-Dimethyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-phenyl]-ethyl}-(S)-6-(2-hydroxy-2-methyl-propyl)-6-phenyl-[1,3]oxazinan-2-one
![3-{(S)-1-[4-(1,4-Dimethyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-phenyl]-ethyl}-(S)-6-(2-hydroxy-2-methyl-propyl)-6-phenyl-[1,3]oxazinan-2-one 分子结构式](/img/chemical/42607222.png)
标识与物理属性
| 分子式 | C28H33N3O4 |
|---|---|
| 平均分子量 | 475.6 g/mol |
| SMILES | Cc1cc(=O)n(C)nc1-c1ccc([C@H](C)N2CC[C@](CC(C)(C)O)(c3ccccc3)OC2=O)cc1 |
| InChIKey | CEYMUNJCMDJNBN-MMTVBGGISA-N |
| PubChem CID | 42607222 |
| ChEMBL | CHEMBL3645517 |
化学与物理性质
| XLogP | 3.7 |
|---|---|
| 极性表面积 | 82.4 |
| 氢键供体 | 1 |
| 氢键受体 | 5 |
| 可旋转键 | 6 |
| 重原子 | 35 |
| 形式电荷 | 0 |
| 复杂度 | 867 |