Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-(3,4-Dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one · 5-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-4-(4-METHOXY-2-METHYLBENZOYL)-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE · 2H-Pyrrol-2-one, 5-(3,4-dimethoxyphenyl)-1,5-dihydro-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-
![5-(3,4-Dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one 분자 구조식](/img/chemical/5777613.png)
식별자 및 물리적 특성
| CAS No. | 371235-97-1 |
|---|---|
| 분자식 | C28H34N2O7 |
| 평균 분자량 | 510.6 g/mol |
| 단동위원소 질량 | 510.23660143 g/mol |
| SMILES | COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccc(OC)c(OC)c2)c(C)c1 |
| InChIKey | SQGZUPVNUHNGEZ-SHHOIMCASA-N |
| PubChem CID | 5777613 |
| EC No. | 134-640-8 |
화학 및 물리적 성질
| XLogP | 3.3 |
|---|---|
| 극성 표면적 | 97.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 37 |
| 형식 전하 | 0 |
| 복잡도 | 827 |
| 끓는 점 | 712.4±60.0 °C(Predicted) |
| 밀도 | 1.243±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 4.50±1.00(Predicted) |