2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone

• 常用名: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
• 英文名: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
• CAS号: 6072-50-0
• 分子量: 864.36300
• 密度: N/A
• 沸点: N/A
• 分子式: C₄₈H₃₈ClN₅O₇S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone

物理化学性质

• 分子式: C₄₈H₃₈ClN₅O₇S
• 分子量: 864.36300
• 精确质量: 863.21800
• PSA: 176.31000
• LogP: 9.35130
• InChIKey: GQPHRYWGJBMIJR-UHFFFAOYSA-N
• SMILES: COc1ccc(C2C3=CCC4C(=O)N(c5ccc(-c6nc7ccccc7o6)cc5)C(=O)C4C3CC3C(=O)N(c4cc(-c5sc6ccc(Cl)cc6c5C)nn4C)C(=O)C32C)c(O)c1