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4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
4-(4-butoxy-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one · 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-5-PHENYL-1,5-DIHYDRO-2H-PYRROL-2-ONE · 2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-5-phenyl-
![4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one の分子構造式](/img/chemical/5890569.png)
識別子と物理属性
| CAS No. | 488827-42-5 |
|---|---|
| 分子式 | C28H36N2O4 |
| 平均分子量 | 464.6 g/mol |
| 単同位体質量 | 464.26750763 g/mol |
| SMILES | CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(CC)CC)C2c2ccccc2)cc1C |
| InChIKey | SFVRXDIGFWNFDP-SHHOIMCASA-N |
| PubChem CID | 5890569 |
| EC No. | 134-868-8 |
化学・物理的性質
| XLogP | 5.3 |
|---|---|
| 極性表面積 | 70.1 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 11 |
| 重原子数 | 34 |
| 形式電荷 | 0 |
| 複雑度 | 711 |
| 沸点 | 640.2±55.0 °C(Predicted) |
| 密度 | 1.148±0.06 g/cm3(Predicted) |
| pKa（酸解離定数） | 4.50±1.00(Predicted) |