HCID69357620

(4R,9aR)-7-Chloro-4,6-dimethyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester

tert-butyl (9R,13R)-5-chloro-4,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene-11-carboxylate

C17H24ClN3O2337.8 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1nc2c(cc1Cl)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N21
InChIKey: YYGUTPVUAXAYTJ-ZWNOBZJWSA-N
分子式: C17H24ClN3O2
平均分子量: 337.8 g/mol
单同位素质量: 337.1557047

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 45.7 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 23
形式电荷: 0
复杂度: 467

ALIASES

名称与别名

共 3 条

SCHEMBL5219194YYGUTPVUAXAYTJ-ZWNOBZJWSA-N(4R,9aR)-7-Chloro-4,6-dimethyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester

REACTIONS