$5-Chloro-2-ethyl-13-(2-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one 分子结构式$

HCID470679

5-Chloro-2-ethyl-13-(2-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

5-chloro-2-ethyl-13-[(2-fluorophenoxy)methyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

C21H18ClFN4O2412.8 g/mol

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IDENTITY

结构与身份

标准SMILES: CCN1c2ncc(COc3ccccc3F)cc2C(=O)N(C)c2ccc(Cl)nc21
InChIKey: VTGDAYQXDQQVAV-UHFFFAOYSA-N
分子式: C21H18ClFN4O2
平均分子量: 412.8 g/mol
单同位素质量: 412.1102317

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 58.6 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 4
重原子: 29
形式电荷: 0
复杂度: 585

ALIASES

名称与别名

共 10 条

BDBM2032CHEMBL103399SCHEMBL6955975VTGDAYQXDQQVAV-UHFFFAOYSA-N2,8-disubstituted dipyridodiazepinone 122-chloro-11-ethyl-8-[(2-fluorophenoxy)methyl]-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-8-(2-fluorophenyloxy)-methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one2-chloro-5,11-dihydro-11-ethyl-8-(2-fluorophenyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-13-(2-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one8-(2-Fluorophenyloxy)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

REACTIONS

参与反应

1 条

uspto-grants-1998_01 · 10.6084/m9.figshare.5104873.v1 · US05705499

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