기본 정보
- CAS
5706-14-9- 표준 SMILES
COc1cc(C2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1- InChIKey
JGKRXGLYGYOROR-UHFFFAOYSA-N- 분자식
- C39H36ClNO5
- 평균 분자량
- 634.2 g/mol
- 단동위원소 질량
- 633.2282009
이름 및 식별자
- 우선 이름
- 2-Phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- 2-((4-Methoxyphenyl)methylene)indan-1-one
- 분자식
- C17H14O2
- 분자량
- 250.29
이름 및 동의어
GNF-Pf-33072-phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateCHEMBL601975DTXSID00386437STK065319AKOS003246097AKOS022080205ST50722878AG-690/12892963SR-01000422560SR-01000422560-1
이름 더 보기
2-((4-Methoxyphenyl)methylene)indan-1-one2-(4-Methoxybenzylidene)-2,3-dihydro-1H-inden-1-one1H-Inden-1-one, 2,3-dihydro-2-[(4-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-inden-1-one
2-phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate2-phenylethyl 7-(4-chlorophenyl)-4-[3-methoxy-4-(phenylmethoxy)phenyl]-2-methy l-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate330848-88-9phenethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- 녹는점
- 141 °C · 141 °C
- 끓는 점
- 440.8 · 440.8±45.0 °C(Predicted)
- 밀도
- 1.21 · 1.210±0.06 g/cm3(Predicted)
화학 및 산업
공급사6 곳
Carbone Scientific CO., LTD[email protected]
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
3B Scientific Corporation[email protected]
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