基本情報
- 標準SMILES
CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc21- InChIKey
VLBKMGQYEGOGLA-UHFFFAOYSA-N- 分子式
- C23H20ClN5O2
- 平均分子量
- 433.9 g/mol
- 単同位体質量
- 433.1305526
名称と識別子
- 優先名称
- 5-chloro-2-ethyl-13-[(1H-indol-5-yloxy)methyl]-9-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-13-(1H-indol-5-yloxymethyl)-9-methyl-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
BDBM2042CHEMBL262184SCHEMBL6966275VLBKMGQYEGOGLA-UHFFFAOYSA-N2,8-disubstituted dipyridodiazepinone 252-chloro-11-ethyl-8-(1H-indol-5-yloxymethyl)-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-8-(5-indolyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one2-chloro-5,11-dihydro-11-ethyl-8-(5-indolyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-13-[(1H-indol-5-yloxy)methyl]-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one8-(5-Indolyloxy)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
- 470692
- ChEMBL
CHEMBL262184- Nikkaji
- J992.970C
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 74.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 653
関連反応
1 件
化合物ノート
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