Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-(4-Butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
4-(4-butoxy-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one · 4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE · 2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-1,5-dihydro-3-hydroxy-
![4-(4-Butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 분자 구조식](/img/chemical/5920719.png)
식별자 및 물리적 특성
| CAS No. | 497942-92-4 |
|---|---|
| 분자식 | C31H42N2O6 |
| 평균 분자량 | 538.7 g/mol |
| 단동위원소 질량 | 538.30428706 g/mol |
| SMILES | CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(CC)CC)C2c2ccc(OCC)c(OC)c2)cc1C |
| InChIKey | DOJTYAULDQRZPV-ORIPQNMZSA-N |
| PubChem CID | 5920719 |
| EC No. | 134-895-5 |
화학 및 물리적 성질
| XLogP | 5.6 |
|---|---|
| 극성 표면적 | 88.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 14 |
| 무거운 원자 수 | 39 |
| 형식 전하 | 0 |
| 복잡도 | 828 |
| 끓는 점 | 687.5±55.0 °C(Predicted) |
| 밀도 | 1.148±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 4.50±1.00(Predicted) |