butyl 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

butyl 7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate · 3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-, butyl ester

https://huagongshe.com/ko/chemical/178819835

butyl 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.	494195-23-2
분자식	C31H35NO7
평균 분자량	533.6 g/mol
SMILES	CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1ccc(C(=O)OC)cc1
InChIKey	MMHWKGCDBGYZTM-UHFFFAOYSA-N

화학 및 물리적 성질

XLogP	4.9
극성 표면적	100
수소 결합 공여자 수	1
수소 결합 수용자 수	8
회전 가능 결합 수	11
무거운 원자 수	39
형식 전하	0
복잡도	977
끓는 점	664.0±55.0 °C(Predicted)
밀도	1.24±0.1 g/cm3(Predicted)
pKa(산도 계수)	0.80±0.70(Predicted)