基本情報
- 標準SMILES
CCN1c2ncc(COc3ccnc(C)c3)cc2C(=O)N(C)c2ccc(Cl)nc21- InChIKey
QTKKWORDBGQVCP-UHFFFAOYSA-N- 分子式
- C21H20ClN5O2
- 平均分子量
- 409.9 g/mol
名称と識別子
- 優先名称
- 5-Chloro-2-ethyl-9-methyl-13-{[(2-methylpyridin-4-yl)oxy]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- IUPAC
- 5-chloro-2-ethyl-9-methyl-13-[(2-methyl-4-pyridinyl)oxymethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
名称と別名
BDBM2047CHEMBL100445SCHEMBL6956935QTKKWORDBGQVCP-UHFFFAOYSA-N2,8-disubstituted dipyridodiazepinone 302-chloro-11-ethyl-5-methyl-8-[(2-methyl-4-pyridyl)oxymethyl]dipyrido[[?],[?]][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-8-(2-methyl-4-pyridinyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one2-chloro-5,11-dihydro-11-ethyl-8-(2-methylpyrid-4-yloxy)methyl-5-methyl-6H-dipyrido[3,2-b;2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-9-methyl-13-{[(2-methylpyridin-4-yl)oxy]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one8-(2-Methyl-4-pyridinyloxy)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
データベース識別子
- PubChem CID
- 470697
- ChEMBL
CHEMBL100445
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 71.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 581
関連反応
1 件
化合物ノート
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