Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-(2,3-Dichlorophenyl)-5-(p-fluorobenzylidene)-3-(4-(morpholino)phenyl )thiobarbituric acid
1-(2,3-Dichlorophenyl)-5-(p-fluorobenzylidene)-3-(4-(morpholino)phenyl )thiobarbituric acid · 4,6(1H,5H)-Pyrimidinedione, 1-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylene]dihydro-3-[4-(4-morpholinyl)phenyl]-2-thioxo- · (5Z)-1-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
식별자 및 물리적 특성
| CAS No. | 121608-30-8 |
|---|---|
| 분자식 | C27H20Cl2FN3O3S |
| 평균 분자량 | 556.44 g/mol |
| SMILES | O=C1/C(=C/c2ccc(F)cc2)C(=O)N(c2cccc(Cl)c2Cl)C(=S)N1c1ccc(N2CCOCC2)cc1 |
| InChIKey | WIUYHMPKEGPZJM-UHFFFAOYSA-N |
| PubChem CID | 6449413 |
화학 및 물리적 성질
| 끓는 점 | 702.927±70.00 °C(Press: 760.00 Torr)(predicted) |
|---|---|
| 밀도 | 1.541±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa(산도 계수) | 5.199±0.10(predicted) |