HCID131728507

2-Amino-4-chloro-6-methyl-10-oxo-10,11-dihydro-5-oxa-10lambda4-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester

methyl 8-amino-10-chloro-1-methyl-5-oxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate

C16H14ClNO4S351.8 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(C)c2c(c1)S(=O)Cc1cc(N)cc(Cl)c1O2
InChIKey: HKGWUUYEKIQVBR-UHFFFAOYSA-N
分子式: C16H14ClNO4S
平均分子量: 351.8 g/mol
单同位素质量: 351.0332068

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 97.8 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 2
重原子: 23
形式电荷: 0
复杂度: 491

ALIASES

名称与别名

共 3 条

HKGWUUYEKIQVBR-UHFFFAOYSA-N2-Amino-4-chloro-6-methyl-10-oxo-10,11-dihydro-5-oxa-10lambda*4*-thia -dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester2-Amino-4-chloro-6-methyl-10-oxo-10,11-dihydro-5-oxa-10lambda*4*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester

REACTIONS