(Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one

• 常用名: (Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
• 英文名: (Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
• CAS号: 21699-91-2
• 分子量: 508.54100
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₃H₂₈N₂O₉S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one

物理化学性质

• 分子式: C₂₃H₂₈N₂O₉S
• 分子量: 508.54100
• 精确质量: 508.15200
• PSA: 198.05000
• LogP: 1.28050
• InChIKey: AZVURJKDMXIBLU-SPIKMXEPSA-N
• SMILES: CN1CCN(C2CCSc3ccccc3C2=O)CC1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O
• 蒸汽压: 2.6E-07mmHg at 25°C

毒性和生态

英文别名

• 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
• 4-(4-Methylpiperazino)-2,3,4,5-tetrahydro-1-benzothiepin-5-one bis(hydrogen maleate)
• 1-BENZOTHIEPIN-5(2H)-ONE,3,4-DIHYDRO-4-(4-METHYL-1-PIPERAZINYL)-,MALEATE (1:2)
• 3,4-Dihydro-4-(4-methyl-1-piperazinyl)-1-benzothiepin-5(2H)-one maleate (1:2)