Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-(4-Chlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidine
5-(4-CHLOROPHENYL)-4-(2'-FLUORO-4'-PROPYL[1,1'-BIPHENYL]-4-YL)-2-PYRIMIDINYL 3,5-DIMETHYLBENZYL SULFIDE · 5-(4-CHLOROPHENYL)-2-[(3,5-DIMETHYLBENZYL)SULFANYL]-4-(2'-FLUORO-4'-PROPYL[1,1'-BIPHENYL]-4-YL)PYRIMIDINE · Pyrimidine, 5-(4-chlorophenyl)-2-[[(3,5-dimethylphenyl)methyl]thio]-4-(2'-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)- · 5-(4-chlorophenyl)-2-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}pyrimidine
![5-(4-Chlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidine 분자 구조식](/img/chemical/5221997.png)
식별자 및 물리적 특성
| CAS No. | 478248-98-5 |
|---|---|
| 분자식 | C34H30ClFN2S |
| 평균 분자량 | 553.1 g/mol |
| 단동위원소 질량 | 552.180226 g/mol |
| SMILES | CCCc1ccc(-c2ccc(-c3nc(SCc4cc(C)cc(C)c4)ncc3-c3ccc(Cl)cc3)cc2)c(F)c1 |
| InChIKey | VLDFDGAXMFYLOB-UHFFFAOYSA-N |
| PubChem CID | 5221997 |
| DTXSID | DTXSID201108732 |
화학 및 물리적 성질
| XLogP | 10.3 |
|---|---|
| 극성 표면적 | 51.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 39 |
| 형식 전하 | 0 |
| 복잡도 | 714 |
| 끓는 점 | 672.8±55.0 °C(Predicted) |
| 밀도 | 1.26±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | -0.41±0.49(Predicted) |