Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
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 분자 구조식](/img/chemical/5890569.png)
식별자 및 물리적 특성
| CAS No. | 488827-42-5 |
|---|---|
| 분자식 | C28H36N2O4 |
| 평균 분자량 | 464.6 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 5.3 |
|---|---|
| 극성 표면적 | 70.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 11 |
| 무거운 원자 수 | 34 |
| 형식 전하 | 0 |
| 복잡도 | 711 |
| 끓는 점 | 640.2±55.0 °C(Predicted) |
| 밀도 | 1.148±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 4.50±1.00(Predicted) |