ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
한글명:ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
카스 번호536759-91-8
상품명:ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CBNumberCB12510065
분자식C22H20N4O6
포뮬러 무게436.42
MOL 파일536759-91-8.mol
화학적 성질
녹는점 | 190-192°C |
끓는 점 | 658.7±55.0 °C(Predicted) |
밀도 | 1.40 |
증기압 | 0Pa at 25℃ |
저장 조건 | Sealed in dry,Room Temperature |
용해도 | 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
산도 계수 (pKa) | -3.80±0.20(Predicted) |
물리적 상태 | 고체 |
물리적 상태 | 단단한 모양 |
색상 | 옅은 갈색에서 밝은 주황색까지 |
InChI | InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3 |
InChIKey | RQNAOIQEGPVYTC-UHFFFAOYSA-N |
SMILES | C1(=O)N(C2=CC=C([N+]([O-])=O)C=C2)CCC2C(C(OCC)=O)=NN(C3=CC=C(OC)C=C3)C1=2 |
LogP | 3.59 at 23℃ and pH6.57 |