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(3S,4aS,8aS)-2-[(2R)-2-[(4S)-2-[3-羟基-2-甲基苯基]-4,5-二氢恶唑-4-基]-2-羟乙基]十氢异喹啉-3-甲酸叔丁酰胺
(3S,4aS,8aS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-methylphenyl]-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl]decahydroisoquinoline-3-carboxylic acid tert-butylamide
化合物简介
基本信息
CAS:188936-07-4
中文别名:奈非那韦恶唑杂质;
英文别名:(3S,4AS,8AS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-Methylphenyl]-4,5-Dihydrooxazol-4-Yl]-2-Hydroxyethyl]Decahydro-iso-Quinoline-3-Carboxylic Acid T-Butyrylamide;(3S,4aS,8aS)-2-[(2R)-2-[(4S)-4,5-Dihydro-2-(3-hydroxy-2-methylphenyl)-4-oxazolyl]-2-hydroxyethyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide;(3S,4aS,8aS)-2-{(2R)-2-[(4S)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxylic acid t-butylamide;
分子式:C26H39N3O4
分子量:457.606
精确质量:457.294
Psa:94.39
Logp:2.7667
中文别名:奈非那韦恶唑杂质;
英文别名:(3S,4AS,8AS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-Methylphenyl]-4,5-Dihydrooxazol-4-Yl]-2-Hydroxyethyl]Decahydro-iso-Quinoline-3-Carboxylic Acid T-Butyrylamide;(3S,4aS,8aS)-2-[(2R)-2-[(4S)-4,5-Dihydro-2-(3-hydroxy-2-methylphenyl)-4-oxazolyl]-2-hydroxyethyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide;(3S,4aS,8aS)-2-{(2R)-2-[(4S)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxylic acid t-butylamide;
分子式:C26H39N3O4
分子量:457.606
精确质量:457.294
Psa:94.39
Logp:2.7667
编号系统
物化性质
密度:1.28
沸点:684.539ºC at 760 mmHg
闪点:367.796ºC
折射率:1.623
蒸汽压:0mmHg at 25°C
沸点:684.539ºC at 760 mmHg
闪点:367.796ºC
折射率:1.623
蒸汽压:0mmHg at 25°C
安全信息
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
